Analyte Name

3,3-Dimethoxyestra-5(10),9(11)-dien-17-one-d2

Molecular Formula

C20 D2 H26 O3

Molecular Weight

318.447

Accurate Mass

318.216

SMILES

[2H]C1([2H])C[C@H]2[C@@H]3CCC4=C(CCC(C4)(OC)OC)C3=CC[C@]2(C)C1=O

InChI

InChI=1S/C20H28O3/c1-19-10-8-15-14-9-11-20(22-2,23-3)12-13(14)4-5-16(15)17(19)6-7-18(19)21/h8,16-17H,4-7,9-12H2,1-3H3/t16-,17+,19+/m1/s1/i7D2

IUPAC

(8S,13S,14S)-16,16-dideuterio-3,3-dimethoxy-13-methyl-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-one

Unlabelled CAS Number

10109-76-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat