Analyte Name

4alpha-Carboxy-5alpha-cholestan-3beta-ol

CAS Number

913254-06-5

Molecular Formula

C28 H48 O3

Molecular Weight

432.679

Accurate Mass

432.36

SMILES

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

InChI

InChI=1S/C28H48O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h17-25,29H,6-16H2,1-5H3,(H,30,31)/t18-,19+,20-,21+,22+,23+,24+,25+,27-,28-/m1/s1

IUPAC

(3S,4S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat