(3beta,​23R)​-3-Acetate-stigmast-​5-​ene-​3,​23-​diol

Analyte Name

(3beta,23R)-3-Acetate-stigmast-5-ene-3,23-diol

CAS Number

2102689-12-1

Molecular Formula

C31 H52 O3

Molecular Weight

472.743

Accurate Mass

472.392

SMILES

CC[C@@H](C(C)C)[C@H](O)C[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C

InChI

InChI=1S/C31H52O3/c1-8-24(19(2)3)29(33)17-20(4)26-11-12-27-25-10-9-22-18-23(34-21(5)32)13-15-30(22,6)28(25)14-16-31(26,27)7/h9,19-20,23-29,33H,8,10-18H2,1-7H3/t20-,23+,24+,25+,26?,27+,28+,29-,30+,31-/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat