Analyte Name

4-Carboxyl-17beta-Estradiol-d3

Molecular Formula

C19 D3 H21 O4

Molecular Weight

319.41

Accurate Mass

319.186

SMILES

[2H]C1([2H])C[C@H]2[C@@H]3CCc4c(ccc(O)c4C(=O)O)[C@H]3CC[C@]2(C)[C@@]1([2H])O

InChI

InChI=1S/C19H24O4/c1-19-9-8-11-10-4-6-15(20)17(18(22)23)13(10)3-2-12(11)14(19)5-7-16(19)21/h4,6,11-12,14,16,20-21H,2-3,5,7-9H2,1H3,(H,22,23)/t11-,12-,14+,16+,19+/m1/s1/i7D2,16D

IUPAC

(8R,9S,13S,14S,17S)-16,16,17-trideuterio-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-4-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat