Analyte Name

(25S)-3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic Acid

CAS Number

23740-15-0

Molecular Formula

C27 H46 O4

Molecular Weight

434.652

Accurate Mass

434.34

SMILES

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

InChI

InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17+,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1

IUPAC

(2S,6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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-methylheptanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat