3alpha,6beta,7beta,12beta-Tetrahydroxy-5beta-cholanoic Acid

Analyte Name

3alpha,6beta,7beta,12beta-Tetrahydroxy-5beta-cholanoic Acid

CAS Number

140852-41-1

Molecular Formula

C24H40O6

Molecular Weight

424.57

Accurate Mass

424.28

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)([C@H](O)C3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@@H](O)[C@@H](O)[C@@]1(C[C@H](O)CC2)[H])[H])[H]

InChI

InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17+,18-,20+,21+,22-,23-,24-/m1/s1

IUPAC

(R)-4-((3R,5R,6S,7R,8R,9S,10R,12R,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat