Analyte Name

(3S,8R,9S,10R,13S,14S)-3-(2-(diethylamino)ethoxy)-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-one hydrochloride

CAS Number

3039-71-2

Molecular Formula

C25H41NO2.HCl

Molecular Weight

424.06

Accurate Mass

423.29

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(=O)CC4)[H])(CC=C1C[C@@H](OCCN(CC)CC)CC2)[H])[H].Cl

InChI

InChI=1S/C25H41NO2.ClH/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24;/h7,19-22H,5-6,8-17H2,1-4H3;1H/t19-,20-,21-,22-,24-,25-;/m0./s1

IUPAC

(3S,8R,9S,10R,13S,14S)-3-(2-(diethylamino)ethoxy)-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-one hydrochloride

Alternate CAS Number

Free Salt: 2855-62-1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule

Product Format

Neat