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77341-09-4

77341-09-4 Structure

77341-09-4 Structure
IdentificationBack Directory
[Name]

3-triMethylsilyloxy-7-ketolithocholic Methyl ester
[CAS]

77341-09-4
[Synonyms]

Obeticholic Acid Intermediate
Methyl 3-Trimethylsilyloxy-7-ketolithocholate
Methyl 3α-trimethylsiloxy-7-keto-5β-cholanate
3-triMethylsilyloxy-7-ketolithocholic Methyl ester
Cholan-24-oic acid, 7-oxo-3-[(trimethylsilyl)oxy]-, methyl ester, (3α,5β)-
(R)-methyl 4-((3R,5S,8S,9R,10S,13R,14S,17R)-10,13-dimethyl-7-oxo-3-(trimethylsilyloxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
[Molecular Formula]

C28H48O4Si
[MOL File]

77341-09-4.mol
[Molecular Weight]

476.76
Chemical PropertiesBack Directory
[Boiling point ]

508.5±25.0 °C(Predicted)
[density ]

1.04±0.1 g/cm3(Predicted)
[InChIKey]

QEMOPFOPYCIEDF-AAFHGKNLNA-N
[SMILES]

C1[C@@]2(C)C(CC(=O)[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@H]2[C@H](C)CCC(OC)=O)C[C@](O[Si](C)(C)C)(O)C1 |&1:1,7,9,13,15,19,20,29,r|
Hazard InformationBack Directory
[Uses]

Methyl 3-Trimethylsilyloxy-7-ketolithocholate is used as a reactant in the preparation of Obeticholic Acid.
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