Analyte Name

25-Hydroxycholest-4-en-3-one

CAS Number

19897-08-6

Molecular Formula

C27H44O2

Molecular Weight

400.64

Accurate Mass

400.33

SMILES

OC(C)(C)CCC[C@@H](C)[C@]1([H])[C@@]2([C@](CC1)([H])[C@@](CCC3=CC4=O)([H])[C@]([C@]3(CC4)C)([H])CC2)C

InChI

InChI=1S/C27H44O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h17-18,21-24,29H,6-16H2,1-5H3/t18?,21-,22+,23-,24-,26?,27?/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat