Analyte Name

5beta-Cholestane-3alpha,7alpha,12alpha,24beta,25-pentol

CAS Number

58580-61-3

Molecular Formula

C27H48O5

Molecular Weight

452.67

Accurate Mass

452.35

SMILES

O[C@H]1[C@@]2([H])[C@@]3([H])[C@@]([C@@](CC3)([H])[C@H](C)CC[C@H](O)C(C)(O)C)([C@H](C[C@]2([H])[C@@]4([C@](C[C@@H](CC4)O)([H])C1)C)O)C

InChI

InChI=1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1

IUPAC

(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R,5S)-5,6-Dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol

Country of Origin

CANADA

Product Type

API

Product Format

Neat