Analyte Name

Norethynodiol 17-Monoacetate-d9

Molecular Formula

C22 D9 H21 O3

Molecular Weight

351.527

Accurate Mass

351.276

SMILES

[2H]C1=C2C([2H])([2H])C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@]4(OC(=O)C([2H])([2H])[2H])C#C)[C@@]2([2H])CC([2H])([2H])[C@@H]1O

InChI

InChI=1S/C22H30O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,16-20,24H,5-12H2,2-3H3/t16-,17-,18+,19+,20-,21-,22-/m0/s1/i2D3,5D2,6D2,13D,17D

IUPAC

[(3S,8R,9S,10R,13S,14S,17R)-2,2,4,6,6,10-hexadeuterio-17-ethynyl-3-hydroxy-13-methyl-1,3,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] 2,2,2-trideuterioacetate

Unlabelled CAS Number

2061-46-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat