3-Hydroxy 2alpha-Hydroxymethyl Ethisterone

Analyte Name

3-Hydroxy 2alpha-Hydroxymethyl Ethisterone

CAS Number

107575-29-1

Molecular Formula

C22 H32 O3

Molecular Weight

344.488

Accurate Mass

344.235

SMILES

C[C@]12C[C@@H](CO)[C@H](O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)C#C

InChI

InChI=1S/C22H32O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,14,16-19,23-25H,5-10,12-13H2,2-3H3/t14-,16+,17-,18-,19+,20-,21-,22-/m0/s1

IUPAC

(2S,3R,8R,9S,10R,13S,14S,17R)-17-ethynyl-2-(hydroxymethyl)-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat