7alpha-Hydroxy-5beta-cholan-24-oic Acid

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

Also Known As: 3-deoxyCDCA|3-deoxy-CDCA|7alpha-Hydroxy-5beta-cholan-24-oic Acid|7a-hydroxy-5b-cholanate|3-deoxychenodeoxycholic acid|7alpha-OH-Cholanic Acid|7a-hydroxy-5b-cholanoate|7a-Hydroxy-5b-cholanic acid|7alpha-hydroxy-5beta-cholanic acid|7a-hydroxy-5b-cholanoic acid|ISO-URSODEOXYCHOLIC ACID|7a-hydroxy-5b-cholan-24-oate|Ursodeoxycholic acid impurity 54|Ursodeoxycholic Acid impurity 100|7a-hydroxy-5b-cholan-24-oic acid|7|A-Hydroxy-5|A-cholan-24-saeure|(5beta,7alpha)-7-hydroxycholan-24-oic acid|Cholan-24-oic acid,7-hydroxy-, (5b,7a)-|(4R)-4-[(5S,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid|IU5|(4R)-4-[(1R,3aS,3bR,4R,5aS,9aS,9bS,11aR)-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid

Molecular Formula	C24H40O3
Molecular Weight	376.29776 g/mol
LogP	6.6
Topological Polar Surface Area	57.5 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	376.29776
Monoisotopic Mass	376.29776
Heavy Atoms	27
Complexity	574.0

Chemical Identifiers

CAS Number	28083-34-3
SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)C
InChIKey	JVMCMMXFADJQKU-MMSVWBHPSA-N