1beta,3alpha,7beta-Trihydroxy-5beta-cholanic Acid

Analyte Name

1beta,3alpha,7beta-Trihydroxy-5beta-cholanic Acid

CAS Number

108179-87-9

Molecular Formula

C24H40O5

Molecular Weight

408.57

Accurate Mass

408.29

SMILES

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

InChI

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

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat