Analyte Name

Gestodene-2,2,4,6,6,10-D6

CAS Number

1542211-40-4

Molecular Formula

C21 D6 H20 O2

Molecular Weight

316.4669

Accurate Mass

316.2309

SMILES

[2H]C1=C2C([2H])([2H])C[C@@H]3[C@H](CC[C@@]4(CC)[C@H]3C=C[C@@]4(O)C#C)[C@@]2([2H])CC([2H])([2H])C1=O

InChI

InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1/i5D2,6D2,13D,16D

IUPAC

(8R,9S,10R,13S,14S,17R)-2,2,4,6,6,10-hexadeuterio-13-ethyl-17-ethynyl-17-hydroxy-7,8,9,11,12,14-hexahydro-1H-cyclopenta[a]phenanthren-3-one

Unlabelled CAS Number

60282-87-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat