Analyte Name

(7alpha,12alpha)-7,12-Dihydroxy-3-oxo-cholest-4-en-26-oic Acid

CAS Number

136014-52-3

Molecular Formula

C27 H42 O5

Molecular Weight

446.619

Accurate Mass

446.303

SMILES

C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChI

InChI=1S/C27H42O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h12,15-16,19-24,29-30H,5-11,13-14H2,1-4H3,(H,31,32)/t15-,16?,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

IUPAC

(6R)-6-[(7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat