delta4-Tibolone (1mg/ml in Acetonitrile)

Analyte Name

delta 4-Tibolone

CAS Number

1162-60-3

Molecular Formula

C21 H28 O2

Molecular Weight

312.45

Measured Value

1 mg/mL

Accurate Mass

312.2089

SMILES

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@H]13

InChI

InChI=1S/C21H28O2/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/h1,12-13,16-19,23H,5-11H2,2-3H3/t13-,16+,17-,18+,19-,20+,21+/m1/s1

IUPAC

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

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile