Analyte Name

(7-Alpha,24S)-7,24-Dihydroxycholest-4-en-3-one

CAS Number

2260669-16-5

Molecular Formula

C27H44O3

Molecular Weight

416.65

Accurate Mass

416.33

SMILES

C[C@@]12[C@](CC[C@]2([H])[C@H](C)CC[C@H](O)C(C)C)([H])[C@@]3([H])[C@@](CC1)([H])[C@@]4(C(C[C@H]3O)=CC(CC4)=O)C

InChI

InChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1

IUPAC

(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-((2R,5S)-5-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

Country of Origin

CANADA

Product Type

Bioactive small molecule

Product Format

Neat