3alpha,7beta,12beta-Trihydroxy-5beta-cholanoic Acid

Product Specifications

CAS Number

81938-67-2

Synonyms

3α,7β,12β-Trihydroxy-5β-cholanic Acid; (3α,5β,7β,12β)-3,7,12-Trihydroxycholan-24-oic Acid

Hazard Statement

No Data Available

Smiles

O[C@@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(O)=O)C)(CC3)[H])[C@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]

Molecular Formula

C24H40O5

Molecular Weight

408.57

InChI

InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20-,22+,23+,24-/m1/s1

Additionnal Information

IUPAC name: (R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid