2-Methoxyestrone-1,4,16,16-d4

Analyte Name

2-Methoxyestrone-1,4,16,16-d4

CAS Number

949885-90-9

Molecular Formula

C19 D4 H20 O3

Molecular Weight

304.42

Accurate Mass

304.1977

SMILES

[2H]c1c(O)c(OC)c([2H])c2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)[C@@H]3CCc12

InChI

InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i6D2,9D,10D

IUPAC

(8R,9S,13S,14S)-1,4,16,16-tetradeuterio-3-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one

Unlabelled CAS Number

362-08-3

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

99 atom % D, min 98% Chemical Purity