Estrone-2,4-d2

Analyte Name

Estrone-2,4-D2

CAS Number

350820-16-5

Molecular Formula

C18 2H2 H20 O2

Molecular Weight

272.38

Accurate Mass

272.1745

SMILES

[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c([2H])c1O

InChI

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3D,10D

IUPAC

(8R,9S,13S,14S)-2,4-dideuterio-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Alternate CAS Number

53-16-7

Unlabelled CAS Number

53-16-7

SIL Type

Deuterium

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

98 atom % D, min 98% Chemical Purity