Analyte Name

17beta-Hydroxyestra-5(10),9(11)-dien-3-one

Molecular Formula

C18 D3 H21 O2

Molecular Weight

275.401

Accurate Mass

275.196

SMILES

[2H]C1([2H])C[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)C3=CC[C@]2(C)[C@@]1([2H])O

InChI

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8,15-17,20H,2-7,9-10H2,1H3/t15-,16+,17+,18+/m1/s1/i7D2,17D

IUPAC

(8S,13S,14S,17S)-16,16,17-trideuterio-17-hydroxy-13-methyl-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-3-one

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Synthesis tool

Product Format

Neat