StructureChemical NameCASMF
(2S,5R,6R)-6-[[(R)-[[(2,3-Dioxo-4-propylpiperazin-1-yl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 65125-88-4 C24H29N5O7S
(1S,4R,5R,6R)-4,5-Dihydroxy-2,7-dioxabicyclo[4.3.0]nonan-8-one C7H10O5
[3S-[2[R*(R*)],3R*]]-2-[2-[[1-(Ethoxycarbonyl)-3-phenylpropyl]aMino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid Ethyl Ester (2Z)-2-Butenedioate 103733-36-4 C31H38N2O9
[3S-[2[R*(R*)],3R*]]-2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]aMino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid PhenylMethyl Ester C32H36N2O5
(1S,2R,3R,4R,6E,10S)-6,10-Dimethyl-3-(1-methylethyl)-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diol 102340-74-9 C15H26O3
(1S,5R,6R,7R)-6-[(1E,3S)-3-Hydroxy-1-octenyl]-7-(tetrahydro-2H-pyran-2-yloxy)-2-oxabicyclo[3.3.0]octan-3-one C20H32O5
(1S,5R,6R,7R)-6-[(1E)-3-Oxo-1-octenyl]-7-(tetrahydro-2H-pyran-2-yloxy)-2-oxabicyclo[3.3.0]octan-3-one C20H30O5
(1S,5R,6R,7R)-6-[(1E,3R)-3-Hydroxy-1-octenyl]-7-(tetrahydro-2H-pyran-2-yloxy)-2-oxabicyclo[3.3.0]octan-3-one C20H32O5
(7S,8R,9R,10R)-9,10-Epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol C20H14O3
(3S,3'R,5R,8R)-5α,8-Epoxy-5,8-dihydro-β,β-carotene-3β,3'β-diol
Quinapril hydrochloride 82586-55-8 C25H31ClN2O5
Piperacillin 61477-96-1 C23H27N5O7S
7-[(1S,2R,3R,4R)-3-[(1E,3R)-3-HYDROXY-4-(4-IODOPHENOXY)-1-BUTENYL]-7-OXABICYCLO[2.2.1]HEPT-2-YL]-5Z-HEPTENOIC ACID 128719-90-4 C23H29IO5
[3S-[2[R*(R*)],3R*]]-2-[2-[[1-(Ethoxycarbonyl)-3-Phenylpropyl]Amino]-1-Oxopropyl]-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylic Acid Hcl
(3S,4R,5S)-4-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-5-methylheptanoic acid tert-butyl ester C27H35NO5
(2S,5R,9R,10R)-9-Hydroxy-6,10-dimethyl-2-(1-methylethenyl)spiro[4.5]dec-6-en-8-one C15H22O2
SRT1720 1001645-58-4 C25H24ClN7OS
SRT3109 1204707-71-0 C18H23F2N5O4S2
(1S,5R,7S)-7-(1H-Indol-3-ylmethyl)-8-methylene-6-isopropyl-6-azabicyclo[3.2.1]oct-3-ene C20H24N2
SSII
(4S,5R,6R,8S)-2,3,3a,4,5,6,7,8,11,11aβ-Decahydro-5,6-epoxy-3-methylene-6,10-dimethyl-2-oxocyclodeca[b]furan-4,8-diol diacetate
[2S*[1R*,5R*(S*)]]-alfa,alfa’-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol].
(3S,4R,5R,6S)-1,8-Bis(methylthio)-3,6-bis[(benzyloxycarbonyl)amino]octane-4,5-diol C26H36N2O6S2
(2S,3R,4R,5S)-1,6-Bis(1H-indol-3-yl)-2,5-bis[(benzyloxycarbonyl)amino]hexane-3,4-diol C38H38N4O6
SRR SB3
(2S,3R,4R,5R)-5-methyltetrahydrofuran-2,3,4-triyl triacetate 27821-07-4 C11H16O7
(1S,3R,5R,7R)-8-Methyl-3-(3,4,5-trimethoxybenzoyl)oxy-8-azabicyclo[3.2.1]octan-7-yl 1-methylpyrrole-2-carboxylate 65862-78-4 C24H30N2O7
(5S,6R,7R,9R)-6-Methoxy-5-Methyl-7-(MethylaMiNA)-6,7,8,9,15,16-hexahydro-17-oxa-4b,9a,15-triaza-5,9-MethaNAdibenzo[b,h]cycloNAna[jkl]cyclopenta[e]-as-indacen-14(5H)-one
(2S,4R,5R,6R)-2α-(4-Methoxyphenyl)-5α-methyl-6β-ethenyl-1,3-dioxane-4β-carbaldehyde
[1S,2R,3R,4R,(-)]-2-(Methoxycarbonyl)bicyclo[2.2.1]heptane-3-carboxylic acid C10H14O4
(S)-2-[[(2R,5R,6R)-2-Methoxy-6-methyl-5-[(S)-2-methylbutyl]tetrahydro-2H-pyran]-2-yl]propionic acid methyl ester C16H30O4
(1S,2R)-2-{[4-({[(1R,2S)-2-carboxycyclohexyl]carbonyl}amino)anilino]carbonyl}cyclohexanecarboxylic acid C22H28N2O6
(1S,2R)-2-({[4'-({[(1R,2S)-2-carboxycyclohexyl]carbonyl}amino)-3,3'-dimethyl[1,1'-biphenyl]-4-yl]amino}carbonyl)cyclohexanecarboxylic acid C30H36N2O6
(1S,2R)-2-[(4-{9-[4-({[(1R,2S)-2-carboxycyclohexyl]carbonyl}amino)phenyl]-9H-fluoren-9-yl}anilino)carbonyl]cyclohexanecarboxylic acid C41H40N2O6
(2S,3R,7R,16S)-17,18-Dihydroschizogalan-14-one 79808-95-0 C19H22N2O
[(2S,3R,4R,5S)-3,4-Dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(carbamic acid benzyl) ester C27H30N2O6
(13α,14β,17α,20S,21R,23R,24S)-21,23:24,25-Diepoxy-5α-lanost-7-ene-3β,21-diol 3-acetate 5532-42-3 C32H50O5
4-[(S)-2-[(1R,3R,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione 94799-82-3 C15H23NO4
(4S,5R,6R,7S)-2,9-Dimethyl-4,7-bis[(benzyloxycarbonyl)amino]decane-5,6-diol C28H40N2O6
(13S,14R,22R,25S)-1,15-Dioxo-5-chloro-6β,13,20,22-tetrahydroxy-14,17α:14,27-diepoxy-16β,24-cyclo-13,14-seco-5α-ergosta-2-ene-18,26-dioic acid 18,20:26,22-dilactone 70241-09-7 C28H31ClO10
(3S,4R,5R,6S)-2,7-Dimethyl-3,6-bis[(benzyloxycarbonyl)amino]octane-4,5-diol C26H36N2O6
(1S,2R,3R,4S)-1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-5-methylchrysene C19H16O3
(5S,6R,7R,8S)-5,7-Dimethyltridecane-6,8-diol C15H32O2
(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo[c]phenanthrene C18H14O3
(-)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)ant hracene 80433-81-4 C18H14O3
(1S,5R)-3-[4-[[4-[(1R,5S)-2,4-dioxo-6-pyridin-4-yl-8-oxa-3,7-diazabicyclo[3.3.0]oct-6-en-3-yl]phenyl]methyl]phenyl]-6-pyridin-4-yl-8-oxa-3,7-diazabicyclo[3.3.0]oct-6-ene-2,4-dione C33H22N6O6
(1S,4R,6R,7R)-(4-nitrophenylmethyl)3-methylene-1-oxo-7-phenylacetamido-cepham-4-carboxylateido-penam-3-carboxylate 76109-32-5 C23H21N3O7S
(2S,4R)-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy- 4-phenyl-butyl]-4-pyridin-4-ylsulfanyl-N-tert-butyl-piperidine-2-carbo xamide 154612-58-5 C35H46N4O4S
[2S-[2R*[R*(R*)]]]-N-[2-[4-(aminocarbonyl)-3-thiazolidinyl]-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl]-6-oxopiperidine-2-carboxamide 66537-55-1 C16H22N6O4S
(S,R,R,R)-Orlistat 111466-61-6 C29H53NO5
(2S,3R,4R,5S,6E)-2,3-Bis(benzyloxy)-1-[(tert-butyldimethylsilyl)oxy]-5-(methoxymethoxy)-6-octen-4-ol C30H46O6Si
(1S,2R,3R,4S,6E,10S)-6,10-Dimethyl-3-(1-methylethyl)-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diol 20071-60-7 C15H26O3
(3S,3'R,5R,8S)-5α,8-Epoxy-5,8-dihydro-β,β-carotene-3β,3'β-diol
(1S,5R,6R,7R)-3-Oxo-7-(tetrahydro-2H-pyran-2-yloxy)-2-oxabicyclo[3.3.0]octane-6-carbaldehyde C13H18O5
(4S,6R,7R)-Serricornin
(1S,2R,3R,4S,6E,10S)-6,10-Dimethyl-3-(1-methylethyl)-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diol 2-acetate 4-benzoate C24H32O5
(3S,3'R,5R,6S)-5,6-Epoxy-5,6-dihydro-β,β-carotene-3,3'-diol 25494-44-4 C40H56O3
(8S,13R,15R)-13,14-Seco-8,13:9α,16-dicycloabietan-16-one
(1S,2R,3R,4S,6E,10S)-6,10-Dimethyl-3-isopropyl-11-oxabicyclo[8.1.0]undec-6-ene-2,4,9-triol 2-acetate 4-trans-cinnamate C27H36O6
Ritonavir EP Impurity I 165315-26-4 C36H46N6O5S2
(1S,3R,5R,6R,7R)-7-(Tetrahydro-2H-pyran-2-yloxy)-6-[(1E,3S)-3-(tetrahydro-2H-pyran-2-yloxy)-1-octenyl]-2-oxabicyclo[3.3.0]octan-3-ol C25H42O6
(4S,5R,10R)-10-[(R)-[[(R)-3,6-Dihydro-6-oxo-2H-pyran]-2-yl]hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-[(S)-1-hydroxyheptyl]-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone triacetate
(1S,5R,6R,7S)-1-Hydroxy-7-benzoyl-5-methyl-8-azabicyclo[4.3.0]nonane-4,9-dione C16H17NO4
(3S,4R,5R,6R,7R,8S,10R,11R,12S,13S,14R)-15-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-4,6,8,10,12,14-hexamethyl-5,7,11,13-tetrakis(phenylmethoxy)-3-pentadecanol C65H86O6Si
(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-(o-Nitrophenylthioamino)-3-(N-methylcarbamoyl)propionyl]amino]-2-(p-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 63359-73-9 C27H30N6O9S2
S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxydecanethioate 6245-70-1 C31H54N7O18P3S
S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-tetradec-11-enethioate 150883-39-9 C35H60N7O17P3S
S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate 17046-56-9 C41H66N7O17P3S
S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenethioate 28879-98-3 C44H72N7O17P3S
Rubrosterone 19466-41-2 C19H26O5
3-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5R,6R )-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-(3,4 -dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one 137830-19-4 C28H32O17
3-[(2S)-2-[(1R,2R,3R,4R,6S)-3-hydroxy-6-[(E)-3-hydroxy-2-[(2R,5S,6S)-6 -[(E)-4-[(2S,3R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxypropyl]oxolan-2-yl]-3, 5-dimethyl-oxolan-2-yl]but-2-en-2-yl]-5-methyl-oxan-2-yl]prop-1-enyl]- 2-(hydroxymethyl)-4-methyl-cyclohexyl]-2-methoxy-acetyl]-5-methylidene -oxolane-2,4-dione, sodium 120203-60-3 C42H64NaO12
(3S,7R,10R,11R)-10-[(2R,3R,4R,5R,6S)-4-Amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-3,7,11- triethyl-1-azacyclotetradecan- 2-one 135559-95-4 C25H48N2O5
(3S,7R,10R,11R)-10-[(2R,3R,4R,5R,6S)-4-Amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy -3,11-diethyl-7 -methyl-1-azacyclotetradecan-2-one 128563-23-5 C24H46N2O5
S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-tetradec-11-enethioate 53034-79-0 C30H42N7O19P3S
S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-dodec-3-enethioate 2152-91-2 C33H56N7O17P3S
(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-octadecahydro-17-(3-hydroxy-1-propynyl-13C3)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol C24H34O4
(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-octadecahydro-17-(3-hydroxy-1-propynyl)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol 82543-17-7 C24H34O4
(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-Octadecahydro-17-(3-hydroxypropyl-13C3)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol 1264137-83-8 C24H38O4
(2S,3R,5R,9R,10S,11R,13R,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methyl-heptan-2-yl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one 23044-80-6 C27H44O7
(2'S,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-10,13-diMethylspiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2'(3'H)-furan]-3,5'(2H)-diol C24H34O3
(2'S,6R,7R,8R,9S,10R,13S,14S,15S,16S)-1,4',5',6,7,8,9,10,11,12,13,14,15,16,20,21-Hexadecahydro-5'-hydroxy-10,13-diMethyl-spiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2'(3'H)-furan]-3(2H)-one-13C3 C24H32O3
(1S,1'R,3'R,7R,5S,5'S,9R,9'S,9aS,9'aS)-9,9'-(1,5-Pentanediyl)[7,3'-dimethyl[1,1'-(1,5-pentanediyl)bis(octahydro-2H-quinolizine)]]-2',8-dione
(3S,7R,8R,9R,10S,13R,14R,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6- methyl-5-methylidene-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodeca hydro-1H-cyclopenta[a]phenanthrene-3,7-diol 61737-96-0 C28H46O3
(8S,9R,10R,11R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 312-90-3 C21H30O3
(1S,2R,3R,4R)-3-[(1S)-1-acetamido-2-ethyl-butyl]-4-(diaminomethylideneamino)-2-hydroxy-cyclopentane-1-carboxylic acid 229614-56-6 C15H28N4O4
(2S,3R,4R,5R,6S,7R,8S,27S)-5,15-Didemethoxy-14-demethyl-5-hydroxy-27-methoxy-8,20-dimethylseptamycin sodium salt 59202-85-6 C48H83NaO16
[1S,2R,6R,7R,8S,(+)]-1,3-Dimethyl-8-(1-methylethyl)tricyclo[4.4.0.02,7]deca-3-ene 14912-44-8 C15H24
[2S,4R,6R,8R,(+)]-2,4,6,8-Tetramethyl-13-tetradecenoic acid methyl ester 27829-58-9 C19H36O2
(2S,3R,4R,5R)-2,3,4,5-Tetrahydroxyadipic acid 5627-26-9 C6H10O8
(1S,5R,6R,7R)-7-(Tetrahydro-2H-pyran-2-yloxy)-6-[(1E,3S)-3-(tetrahydro-2H-pyran-2-yloxy)-1-octenyl]-2-oxabicyclo[3.3.0]octan-3-one C25H40O6
(2S,3R,4R,5R)-4,5,6-trihydroxyhexane-1,2,3-triolate 56959-18-3 C15H28ClFeO14
[S-(R*,R*)]-tartaric acid, sodium salt 21106-15-0 C4H4Na2O6
[S-(R*,R*)]-tartarohydrazide 80081-45-4 C4H10N4O4
(4S,8R,13R,14S)-13-Methyl-17-norkaur-15-ene-3α,7β,14,18-tetrol 52667-18-2 C20H32O4
(4S,8R,13R,14S)-13-Methyl-17-norkaur-15-ene-3α,14,18-triol 52667-17-1 C20H32O3
(1S,2R,5R,8S)-8-Methoxy-6,6-dimethyl-2-(phenylthio)-1-(2-propenyl)bicyclo[3.2.1]octan-3-one C20H26O2S
(4S,8R,13R,14S)-13-Methyl-17-norkaur-15-ene-7β,14,18-triol 52706-74-8 C20H32O3
(4S,8R,13R,14S)-13-Methyl-17-norkaur-15-ene-14,18-diol 14-acetate 53846-57-4 C22H34O3
(S,R,R,S)-Nebivolol 119365-23-0 C22H25F2NO4
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