Analyte Name

(17beta)-3,3-Dimethoxyestra-5(10),9(11)-dien-17-ol-d3

Molecular Formula

C20H27D3O3

Molecular Weight

321.47

Accurate Mass

321.24

SMILES

O[C@@]1([2H])C([2H])([2H])C[C@@]2([H])[C@](C3=CC[C@@]21C)([H])CCC4=C3CCC(OC)(OC)C4

InChI

InChI=1S/C20H30O3/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/h8,16-18,21H,4-7,9-12H2,1-3H3/t16-,17+,18+,19+/m1/s1/i7D2,18D

IUPAC

(8S,13S,14S,17S)-3,3-dimethoxy-13-methyl-2,3,4,6,7,8,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16,16,17-d3-17-ol

Alternate CAS Number

53303-90-5

Unlabelled CAS Number

53303-90-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat