Gallenacid

CAS

142974-51-4

Catalog Number

ACM142974514

Category

Other Products

Molecular Weight

798.142760 [g/mol]

Molecular Formula

C48H79NO8

MSDS COA Spec Sheet

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Specification

Synonyms

CID213038, S 0960, 142974-51-4, Cholan-24-oic acid, 7,12-dihydroxy-3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, (3beta,5beta,7alpha,12alpha)-

IUPAC Name

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

Canonical SMILES

CC(CCC(=O)NC1CCC2(C(C1)CC(C3C2CC(C4(C3CCC4C(C)CCC(=O)O)C)O)O)C)C5CCC6C5(C(CC7C6C(CC8C7(CCC(C8)O)C)O)O)C

InChI Key

GCJPHGQNZBNLBM-LBAUJTLSSA-N

H-Bond Acceptor

H-Bond Donor