Analyte Name

D-(-)-Norgestrel beta-D-Glucuronide Methyl Ester

Molecular Formula

C28H38O8

Molecular Weight

502.6

Accurate Mass

502.26

SMILES

O=C1CC[C@@]2([H])C(CC[C@]3([H])[C@]2([H])CC[C@@]4(CC)[C@]3(CC[C@]4(C#C)O[C@@H]5O[C@H](C(OC)=O)[C@@H](O)[C@H](O)[C@H]5O)[H])=C1

InChI

InChI=1S/C28H38O8/c1-4-27-12-10-18-17-9-7-16(29)14-15(17)6-8-19(18)20(27)11-13-28(27,5-2)36-26-23(32)21(30)22(31)24(35-26)25(33)34-3/h2,14,17-24,26,30-32H,4,6-13H2,1,3H3/t17-,18+,19+,20-,21-,22-,23+,24-,26-,27-,28-/m0/s1

IUPAC

methyl (2S,3S,4S,5R,6S)-6-(((8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat