StructureChemical NameCASMF
(4S,6S,8R,10R,12R)-4,6,8,10,12-Pentamethoxy-1-heptadecene C22H44O5
(2S,3S,5R)-2-[(S)-3-Hydroxypropan-2-yl]-5-[(S)-1-methoxyethyl]-3-methyltetrahydrofuran C11H22O3
(2S,3S,4R,5R)-4-[(2R,3S,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxo-oxan-2-yl]oxy-2,3,5,6-tetrahydroxy-hexanal 15990-62-2 C12H20O11
(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol 70741-38-7 C27H44O
(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic 2616-64-0 C15H22N2O18P2
[(2S,3S,4R,5R,6R)-5-hydroxy-2-methyl-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihyd roxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-4-[(2S,3R,4S,5R)- 3,4,5-trihydroxyoxan-2-yl]oxy-oxan-3-yl] 3-phenylprop-2-enoate 110219-94-8 C34H44O16
(3S,10S,13R,14R,17R)-17-((R)-1,5-DIMETHYL-HEX-4-ENYL)-4,4,10,13,14-PENTAMETHYL-2,3,4,5,6,7,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL C30H50O
(1S,2S,3R,4R,6R,9R)-2,3-dihydroxy-4-methoxy-9-methyl-5,8,10-trioxabicyclo[4.4.0]decane-9-carboxylic acid C10H16O8
(1S,2S,4R,5R,6S)-2-Amino-4-methylbicyclo[3.1.0]hexane-2,6-dicarboxylicacid 852679-66-4 C9H13NO4
(1S,2S,4R,5R,6S,7R)-3-Nitrotetracyclo[3.2.0.02,7.04,6]heptane-1,5-dicarboxylic acid dimethyl ester C11H11NO6
(1S,2S,4R,5R,10S,12R,14S,15S)-2,5-Bis(acetyloxy)-7,12-dimethyl-4-(1-methylethenyl)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-17-one 99552-26-8 C24H28O9
(2S,3S,2'R,3'R)-1'-[(1S)-1-(2-Benzyloxyethyl)-3-methylbutyl]-2β,2'α-diphenyl-3β-phenoxy-1,3'-biazetidine
(5S,8S,9R,10R)-5-[(S)-2-(tert-Butyloxycarbonylamino)-3-phenylpropanoylamino]-8-cyclohexylmethyl-9,10-dihydroxy-1,7-diazacyclotridecane-2,6-dione C32H50N4O7
(13α,14β,17S,20S,21R,23R,24S)-21,23:24,25-Diepoxy5α-lanost-7-ene-3α,21-diol 3-acetate 22415-24-3 C32H50O5
4-Cholesten-3-one 601-57-0 C27H44O
[(3S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] decanoate 1183-04-6 C37H64O2
[(3S,8S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,4-dichlorobenzoate 32832-01-2 C34H48Cl2O2
(1S,2S,3R,4R,6S)-6-(cyanomethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarb oxylic acid 127311-92-6 C10H11NO5
[2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2 ,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2 -oxo-ethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoate 7301-54-4 C27H38O11
[2-[(3S,10S,13R,14R,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,12,14,15,16, 17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate 7252-92-8 C25H32O5
(8S,9S,10R,13R,14S,17S)-17-(1-hydroxyethyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one 3643-00-3 C20H30O2
(8S,9S,10R,13R,14S,17S)-10,13-DIMETHYL-17-OCTYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3-THIOL C27H46S
[(8S,9S,10R,13R,14S,17S)-17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15, 16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate 4954-06-7 C23H32O3
(1S,3S,6R)-4-[(2R,3S)-3-[[(2S)-2-acetamido-3-naphthalen-2-ylsulfonyl-p ropanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-9-thia-4-azabic yclo[4.3.0]nonane-3-carboxamide 173967-60-7 C37H48N4O6S2
(2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-( 6-aminopurin-9-yl)-4-hydroxy-oxolane-2-carboxylic acid dihydrochloride 86936-92-7 C20H25Cl2N7O6
(3S,8S,10R,13R)-17-[(5S)-5-ethyl-6-methyl-hept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C29H48O
4-[(3S,5S,10R,13R,14S,17S)-5,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one 32476-67-8 C30H46O8
5-[(3S,5S,10R,13R,14S,17S)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one 472-26-4 C24H34O5
(8S,9S,10R,13R,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 145-14-2 C21H32O2
(2S,3S,2'R,3'R)-1'-[(1S)-2-Hydroxy-1-methylethyl]-2β,2'α-diphenyl-3β-hydroxy-1,3'-biazetidine
(1S,1'S,2R,2'R,3S,3'S,9aR,9'aR)-8-Hydroxyrugulosin 52680-03-2 C30H22O11
(1S,1'S,2R,2'R,3S,3'S,9aR,9'aR)-4-Deoxy-4,4a-dihydro-8,8'-dihydroxy-4-oxorugulosin 52680-05-4 C30H22O13
(3S,3'S,5R,5'R,6S,6'R,9'Z)-6',7'-Didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-β,β-carotene
(1S,3S,5R,7R)-1,3,5,7-Tetramethyl-2-thiatricyclo[3.3.1.13,7]decane-4,6,8-trione
(1S,2S,5R,6R)-2,5,6-Trimethyl-3,4,10-trioxatricyclo[4.2.1.12,5]decane
[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acid 63779-58-8 C6H13O9P
(1S,5S,8R,9R)-4,4,8-TRIMETHYLTRICYCLO[6.3.1.0~1,5~]DODECANE-2,9-DIOL C15H26O2
S100SS,HUMAN,RECOMBINANT
(3S,5S)-Simvastatin Hydroxy Acid Ammonium Salt C25H43NO6
[(1S,2S,5R,6S)-6-(methyl-(3-phenylpropyl)amino)-4,8-dioxabicyclo[3.3.0 ]oct-2-yl] nitrate hydrochloride 81786-39-2 C16H23ClN2O5
(2S,4S,5R)-tert-butyl 5-ethyl-2-(2-hydroxyethyl)piperidine-4-carboxylate 1273577-31-3 C14H27NO3
(1S,2S,4R)-7-tert-butyl 2-ethyl 7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate 1260981-47-2 C14H23NO4
(1S,2S,4R)-7-(tert-butoxycarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid 1221818-81-0 C12H19NO4
(2S,4S,5R)-1-(4-(tert-butyl)-3-methoxybenzoyl)-2-isobutyl-4-(methoxymethyl)-5-(thiazol-2-yl)pyrrolidine-2-carboxylic acid C26H36N2O5S
(S,S,R,S)-Orlistat 130193-42-9 C29H53NO5
(1S,2S,5R)-3-tert-butyl 2-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylate C14H23NO4
(1S,2S,6S)-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,8-diene-5-carboxylic acid 27932-72-5 C16H22O10
(1S,2S,5S)-2-(HYDROXYMETHYL)-5-VINYLQUINUCLIDINE 207129-35-9 C10H17NO
(1S,2S,5S)-(-)-2-Hydroxy-3-pinanone 1845-25-6 C10H16O2
(-)-(5S,3S,2S)-5-(1-Hydroxy-1-methylethyl)-3-cyano-2
-methylcylohexanone
C11H17NO2
Side chain for imipenem 90776-58-2 C14H27NO4Si
(1S,2S,5R)-3-(TERT-BUTOXYCARBONYL)-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID C11H17NO4
(-)-(5S,3S,2S)-5-(1-HYDROXY-1-METHYLETHYL)-3-CYANO-2-METHYLCYLOHEXANONE C11H17NO2
(2S,4S,5R)-2,4,5,6-tetrahydroxyhexanoic acid 29625-79-4 C6H12O6
(1S,6S,7R,9S)-5-oxo-4-azatricyclo[4.2.1.0~3,7~]non-2-ene-9-carboxylic acid 1217827-81-0 C9H9NO3
(4S)-3-[(2S,3S)-3-Hydroxy-2,5-dimethylhexanoyl]-4β-tert-butyloxazolidin-2-one
(2S,3S)-1-[(1S)-1-Hydroxy-3-methylbutyl]-3β-benzyloxy-2β-(4-fluorophenyl)azetidine
(3S,4S)-3α-[(R)-1-[(Tetrahydro-2H-pyran)-2-yloxy]ethyl]-4β-[(S)-1-benzyloxyethyl]azetidin-2-one
(1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptane-3-one C10H16O2
(4S)-3-[(2S,3S)-3-Hydroxy-2,4-dimethyl-1-oxopentyl]-4β-isopropyloxazolidin-2-one
(4S)-3-[(2S,3S)-3-Hydroxy-2-methylpentanoyl]-4β-isopropyloxazolidin-2-one
(4S)-3-[(2S,3S)-3-Hydroxy-2-methylpentanoyl]-4β-tert-butyloxazolidin-2-one
(2S,3S)-1-[(1S)-1-Hydroxymethyl-3-methylbutyl]-2β-phenylazetidin-3β-ol
(4S)-3-[(2S,3S)-3-Hydroxy-2,5-dimethylhexanoyl]-4β-isopropyloxazolidin-2-one
(4S)-3-[(2S,3S)-3-Hydroxy-2-methyl-1-oxoheptyl]-4β-isopropyloxazolidin-2-one
[3S,5S,6S,(-)]-6-Hydroxy-2,2,5,7,7-pentamethyl-3-trimethylsiloxy-4-octanone C16H34O3Si
(1S,5S,8S)-8-Hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-one C6H8O4
(4S)-3-[(2S,3S)-3-Hydroxy-2,4-dimethylpentanoyl]-4β-tert-butyloxazolidin-2-one
(4S)-3-[(2S,3S)-3-Hydroxy-2,4-dimethyl-4-pentenoyl]-4β-tert-butyloxazolidin-2-one
(3S,4S)-3α-[(R)-1-[(Tetrahydro-2H-pyran)-2-yloxy]ethyl]-4β-[(S)-1-hydroxyethyl]azetidin-2-one
(1S,4S,6R)-4-tert-Butylbicyclo[4.1.0]heptan-2-one [(2R,3R)-2,3-butanediyl]acetal C15H26O2
[1S,2S,4S,(-)]-1-Hydroxy-2,5,5-trimethyl-4-trimethylsiloxy-1-phenyl-3-hexanone C18H30O3Si
(1S,5S,8S)-8-Hydroxy-2,6-dioxabicyclo[3.3.0]octan-3-one C6H8O4
(1S,2S,6R)-2-[(3S)-5-[4-O-(3,3-Dimethylacryloyl)-α-L-arabino-pentopyranosyloxy]-3-methylpentyl]-3-methyl-6-(3-methyl-2-butenyl)cyclohexa-3-ene-1-propanoic acid
(9S,13S,14S)-3-Hydroxy-17-methylmorphinan-10-one C17H21NO2
(4S)-3-[(2S,3S)-3-Hydroxy-2,4-dimethyl-4-pentenoyl]-4β-isopropyloxazolidin-2-one
(3S,4S)-3α-[(R)-1-[(Tetrahydro-2H-pyran)-2-yloxy]ethyl]-4β-[(S)-1-(4-nitrobenzoyloxy)ethyl]azetidin-2-one
(13S,14S,17S)-16β-Hydroxy-3-oxolanosta-7,24-diene-21-oic acid γ-lactone 22611-36-5 C30H44O3
(4S)-3-[(2S,3S)-3-Hydroxy-2,4,4-trimethylpentanoyl]-4β-tert-butyloxazolidin-2-one
(4S)-3-[(2S,3S)-3-Hydroxy-2,4,4-trimethylpentanoyl]-4β-isopropyloxazolidin-2-one
(S)-3-[(2S,5R)-Tetrahydro-5-vinyl-5-methylfuran-2-yl]-2-butanone 54933-91-4 C11H18O2
(3S,4S)-4β-[(S)-1-[2-Hydroxyethylaminocarbonyloxy]ethyl]-2-oxo-3α-[(R)-1-hydroxyethyl]azetidine-1-sulfonic acid potassium salt
(22S,23S,25R)-5α-Spirostane-2α,3β,23-triol 28415-09-0 C27H44O5
(22S,23S,25R)-Spirosol-5-ene-3β,23,27-triol
(22S,23S,25R)-Spirosol-5-ene-3β,23-diol
(1S,2S,3R,5S)-(+)-2,3-PINANEDIOL BUTYLBORONATE ESTER 85167-10-8 C14H25BO2
(1S,2S,3R,5S)-(+)-2,3-PINANEDIOL 4-BROMOBUTYLBORONATE ESTER 165881-36-7 C14H24BBrO2
(1S,2S,3R,5S)-(+)-2,3-Pinanediol 18680-27-8 C10H18O2
(1S, 2S, 3R, 5S)-PINANEDIOL PYRROLIDINE-2R-BORONATE HYDROCHLORIDE C14H27BClNO3
1S,2S,3R,5S-PINANEDIOL PYRROLIDINE-2R-BORONATE HCL C14H27BClNO3
(1S,2S)-2-(((1R,2S,5R)-2-isopropyl-5-Methylcyclohexyloxy)carbonyl)cyclopropanecarboxylic acid 175221-03-1 C15H24O4
(1S,2S)-((1R,2S,5R)-2-isopropyl-5-Methylcyclohexyl) 2-(2-(9H-xanthen-9-yl)acetyl)cyclopropanecarboxylate 201851-10-7 C29H34O4
(1S,3S,5R,6S,7R)-6-[(1-Methoxy-1-methylethoxy)methyl]-7-(tetrahydro-2H-pyran-2-yloxy)-2-oxabicyclo[3.3.0]octan-3-ol C17H30O6
3β,2α-[[(2S,3S,4R,5S,6R)-Tetrahydro-3,4,5-trihydroxy-6-methyl-2H-pyran-2,3-diyl]bisoxy]-14-hydroxy-19-oxo-5α-card-20(22)-enolide 20304-49-8 C29H40O10
(3S,5S,8R,10S,13R,14S,17R)-3,5,14-TRIHYDROXY-13-METHYL-17-(5-OXO-2,5-DIHYDRO-FURAN-3-YL)-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHRENE-10-CARBALDEHYDE C23H32O6
(3S,8S,9R,10S,13R,14R,17S)-17-[(2R)-5-dimethylaminopentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 1973-61-1 C26H45NO
(2S,4S,5R)-6-((1S,2R)-2-((2S,4S,5R)-2-carboxy-5-ethanamido-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-yloxy)-1,3-dihydroxypropyl)-2-((2S,3R,4S,5S,6R)-2-((2R,3S,4R,5R,6R)-6-((2S,3R,E)-2-dodecanamido-3-hydroxyoctadec-4-enyloxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yloxy)-5-ethanamido-4-hydroxytetrahydro-2H-pyran-2-carboxylic acid 104443-61-0 C64H113N3O29
(1S,2S,5R)-3-[2-(2-thienyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid C12H13NO3S
(1S,2S,5R)-3-[2-(3-thienyl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid C12H13NO3S
(2S)-2-[[9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid 4542-23-8 C14H17N5O8
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