Methyl (3α,5β)-6-Ethylidene-3-hydroxy-7-oxo-cholan-24-oate - CAS 863239-59-2

Catalog: BB058957
Product Name: Methyl (3α,5β)-6-Ethylidene-3-hydroxy-7-oxo-cholan-24-oate
CAS: 863239-59-2
Synonyms: (R)-Methyl 4-((3R,5R,8S,9S,10R,13R,14S,17R,Z)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate; methyl (4R)-4-[(3R,5R,6Z,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]pentanoate; (3alpha,5beta)-6-Ethylidene-3-hydroxy-7-oxocholan-24-oic acid methyl ester
Methyl (3α,5β)-6-Ethylidene-3-hydroxy-7-oxo-cholan-24-oate
IUPAC Name:methyl (4R)-4-[(3R,5R,6Z,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]pentanoate
Description:Methyl (3α,5β)-6-Ethylidene-3-hydroxy-7-oxo-cholan-24-oate is used as a reactant in the preparation of dual agonists of nuclear and membrane bile acid receptors.
Molecular Weight:430.62
Molecular Formula:C27H42O4
Canonical SMILES:CC=C1C2CC(CCC2(C3CCC4(C(C3C1=O)CCC4C(C)CCC(=O)OC)C)C)O
InChI:InChI=1S/C27H42O4/c1-6-18-22-15-17(28)11-13-27(22,4)21-12-14-26(3)19(16(2)7-10-23(29)31-5)8-9-20(26)24(21)25(18)30/h6,16-17,19-22,24,28H,7-15H2,1-5H3/b18-6-/t16-,17-,19-,20+,21+,22+,24+,26-,27-/m1/s1
InChI Key:SXDZXAFUWCERDJ-CXHHNCLUSA-N
References:D'Amore, Claudio, et al. J. of Med. Chem., 57(3), 937-954 (2014).

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