Analyte Name

16-epi-Estriol-2,4-D2

CAS Number

366495-94-5

Molecular Formula

C18 D2 H22 O3

Molecular Weight

290.3937

Accurate Mass

290.1851

SMILES

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

InChI

InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1/i3D,8D

IUPAC

(8R,9S,13S,14S,16S,17R)-2,4-dideuterio-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

Unlabelled CAS Number

547-81-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat