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Structure

Methyl 7beta-hydroxy-3-ketocholanoate

CAS
67371-28-2
Catalog Number
ACM67371282
Category
Other Products
Molecular Weight
404.58
Molecular Formula
C25H40O4

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Specification

Synonyms
(5β,7β)-7-Hydroxy-3-oxo-cholan-24-oic Acid Methyl Ester;
IUPAC Name
methyl (4S)-4-[(5R,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Canonical SMILES
CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(=O)C4)C)O)C
InChI Key
XHRLTYUHWGHDCJ-SIBPZTLDSA-N
Appearance
Yellow Solid
Exact Mass
404.29300
H-Bond Acceptor
4
H-Bond Donor
1
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