D-(-)-Norgestrel Sulfate Sodium Salt

Analyte Name

D-(-)-Norgestrel Sulfate Sodium Salt

Molecular Formula

C21 H27 Na O5 S

Molecular Weight

414.491

Accurate Mass

414.148

SMILES

CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(OS(=O)(=O)O[Na])C#C

InChI

InChI=1S/C21H28O5S.Na/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,4-2)26-27(23,24)25;/h2,13,16-19H,3,5-12H2,1H3,(H,23,24,25);/q;+1/p-1/t16-,17+,18+,19-,20-,21-;/m0./s1

IUPAC

[(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxysulfonyloxysodium

Alternate CAS Number

Parent Compound: 797-63-7

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)