3alpha-Hydroxy Tibolone (1mg/ml in Acetonitrile)

Analyte Name

3alpha-Hydroxy Tibolone

CAS Number

100239-44-9

Molecular Formula

C21 H30 O2

Molecular Weight

314.46

Measured Value

1 mg/mL

Accurate Mass

314.2246

SMILES

C[C@@H]1CC2=C(CC[C@@H](O)C2)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@H]13

InChI

InChI=1S/C21H30O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15-,17-,18+,19-,20+,21+/m1/s1

IUPAC

(3R,7R,8R,9S,13S,14S,17R)-17-ethynyl-7,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile