(5Alpha)-Estrane-3,17-dione-d6

Analyte Name

(5alpha)-Estrane-3,17-dione-d6

CAS Number

122605-91-8

Molecular Formula

C18H20D6O2

Molecular Weight

280.43

Accurate Mass

280.2309

SMILES

[2H]C1([2H])C[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)[C@@H]3CC[C@H]2C([2H])([2H])C1=O

InChI

InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3/t11-,13-,14+,15+,16-,18-/m0/s1/i3D2,7D2,10D2

IUPAC

(5S,8R,9R,10S,13S,14S)-2,2,4,4,16,16-hexadeuterio-13-methyl-5,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Alternate CAS Number

5696-58-2

Unlabelled CAS Number

5696-58-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat