Analyte Name

delta4-Tibolone-13C,d3

Molecular Formula

C2013CH25D3O2

Molecular Weight

316.46

Accurate Mass

316.23

SMILES

[H][C@]12[C@@]([C@@](CC[C@]3(C#C)O)([H])[C@]3(C)CC2)([H])[C@H]([13C]([2H])([2H])[2H])CC4=CC(CC[C@@]41[H])=O

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/i2+1D3

IUPAC

(7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7-(methyl-13C-d3)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

Unlabelled CAS Number

1162-60-3

SIL Type

Carbon, Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat