(3alpha,5beta,12alpha,24E)-3,12-Dihydroxy-cholest-24-en-26-oic Acid

Analyte Name

(3alpha,5beta,12alpha,24E)-3,12-Dihydroxy-cholest-24-en-26-oic Acid

CAS Number

186309-47-7

Molecular Formula

C27 H44 O4

Molecular Weight

432.636

Accurate Mass

432.324

SMILES

C[C@H](CC\C=C(/C)\C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChI

InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)21-10-11-22-20-9-8-18-14-19(28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h7,16,18-24,28-29H,5-6,8-15H2,1-4H3,(H,30,31)/b17-7+/t16-,18-,19-,20+,21-,22+,23+,24+,26+,27-/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat