(4S)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanoicacid

CAS

14959-83-2

Catalog Number

ACM14959832

Category

Other Products

Molecular Weight

408.571 g/mol

Molecular Formula

C₂₄H₄₀O₅

MSDS COA Spec Sheet

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Specification

Synonyms

Hemulcholic acid, Haemulcholic acid, CID193495, 3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic acid, Cholan-24-oic acid, 3,7,22-trihydroxy-, (3alpha,5beta,7alpha,22S)-, 14959-83-2

IUPAC Name

(4S)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanoic acid

Canonical SMILES

CC(C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C)C(CC(=O)O)O

InChI Key

IPSHXEXQGICLQN-KRRBZGEWSA-N

H-Bond Acceptor

H-Bond Donor