Analyte Name

(3Beta)-16-[(3Beta)-3-Hydroxyandrosta-5,16-dien-17-yl]-17-(pyridin-3-yl)androsta-5,16-dien-3-ol

CAS Number

186826-70-0

Molecular Formula

C43 H57 N O2

Molecular Weight

619.918

Accurate Mass

619.439

SMILES

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2C5=C(c6cccnc6)[C@@]7(C)CC[C@H]8[C@@H](CC=C9C[C@@H](O)CC[C@]89C)[C@@H]7C5

InChI

InChI=1S/C43H57NO2/c1-40-17-13-29(45)22-27(40)7-9-31-34-11-12-35(42(34,3)19-15-36(31)40)33-24-38-32-10-8-28-23-30(46)14-18-41(28,2)37(32)16-20-43(38,4)39(33)26-6-5-21-44-25-26/h5-8,12,21,25,29-32,34,36-38,45-46H,9-11,13-20,22-24H2,1-4H3/t29-,30-,31-,32+,3

IUPAC

(3S,8R,9S,10R,13S,14S)-16-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat