Analyte Name

Norgestimate-d6

CAS Number

1263194-12-2

Molecular Formula

C23 H25 D6 N O3

Molecular Weight

375.53

Accurate Mass

375.27

SMILES

C(C)[C@@]12[C@](OC(C)=O)(C#C)CC[C@]1([C@]3([C@](CC2)([C@@]4(C(C(C3)([2H])[2H])=C(C(=NO)C(C4)([2H])[2H])[2H])[2H])[H])[H])[H]

InChI

InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1/i6D2,7D2,14D,18D

IUPAC

(8R,9S,10R,13S,14S,17R,E)-13-ethyl-17-ethynyl-3-(hydroxyimino)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl-2,2,4,6,6,10-d6 acetate

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat