CAS
71835-79-5 Purity
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71835-79-5 Purity
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Methyl(3alpha,5beta,7alpha)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate
CAS
71837-87-1
Catalog Number
ACM71837871
Category
Other Products
Molecular Weight
462.618780 [g/mol]
Molecular Formula
C27H42O6
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Specification
Synonyms
EINECS 276-058-8, CID 4184049, CID11547153, Methyl (3alpha,5beta,7alpha)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate, 71837-87-1
IUPAC Name
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-acetyloxy-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Canonical SMILES
CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)O)C)OC(=O)C)C
InChI Key
MWUBEKFSCVGPKW-OYYDADKJSA-N
EC Number
276-058-8
Exact Mass
462.29800
H-Bond Acceptor
6
H-Bond Donor
1
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