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1516887-33-4

1516887-33-4 Structure

1516887-33-4 Structure
IdentificationBack Directory
[Name]

(E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid
[CAS]

1516887-33-4
[Synonyms]

Obeticholic Acid-G
Obeticholic Acid N-5
Obeticholic Acid N-2
route 3 N-1 intermediate
Obeticholic Acid intermdiate
Obeticholic Acid inter. OB-3
Obeticholic Acid impurity 04
Obercholic acid intermediate-3
Obeticholic Acid Intermediate F
Obeticholic Acid Intermediate 3
3α-hydroxy-6-ethylidene-7-oxo-5β-cholanoic acid
(E)3a-hydroxy-6-vinyl-7-oxo-24-cholestanoic acid
(E)-3α-hydroxy-6-ethylene-7-keto-5β-cholan-24-oic acid
(E)-3a-hydroxy-6-ethylidene-7-keto-5-cholan-24-oic acid
(E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid
(E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid
(3α,5β,E)-6-Ethylidene-3-hydroxy-7-oxocholan-24-oic Acid
(3α,5β,6E)-6-Ethylidene-3-hydroxy-7-oxocholan-24-oic acid
(3α,5β,6E)-6-Ethylidene-3-hydroxy-7-oxocholan-24-oic acid
(E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acidid
Cholan-24-oic acid, 6-ethylidene-3-hydroxy-7-oxo-, (3α,5β,6E)-
(3alpha,5beta,6E)-6-Ethylidene-3-hydroxy-7-oxocholan-24-oic&...
(3alpha,5beta,6E)-6-Ethylidene-3-hydroxy-7-oxocholan-24-oic acid
(E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid CAS NO.1516887-33-4
Obeticholic Acid intermediates,(3alpha,5beta,6E)-6-Ethylidene-3- hydroxy-7-oxocholan-24-oic acid
(R)-methyl 4-((3R,5S,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(4R)-methyl 4-((3R,10R,13R,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(R)-methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(s)-4-(3R,5S,6R,8S,9S,10S,13R,14S,17S)-6-ethyl-3-hydroxy-10,13-dimethl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,Z)-6-ethylidene-3-hydroxy-10,13-diMethyl-7-oxo- hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-(tert-butyldimethylsilyloxy)-10,13-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(R)-methyl 4-((3R,7R,8R,9S,10S,13R,14S,17R)-3-(tert-butyldimethylsilyloxy)-7-hydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(4R)-4-[(3R,5R,6E,8S,9S,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
[EINECS(EC#)]

811-949-2
[Molecular Formula]

C26H40O4
[MOL File]

1516887-33-4.mol
[Molecular Weight]

416.593
Chemical PropertiesBack Directory
[Boiling point ]

573.1±43.0 °C(Predicted)
[density ]

1.142±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.76±0.10(Predicted)
[InChIKey]

RDCBMNFSJFALPG-QNLZCKQPNA-N
[SMILES]

C[C@]12CC[C@@H](O)C[C@@]1([H])/C(=C\C)/C(=O)[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@]21[H] |&1:1,4,7,14,16,20,22,29,33,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Uses]

A byproduct in the synthesis of Obeticholic Acid (E899810). May be useful in the treatment of liver diseases.
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