17-Iodo-3-O-methyl Estratetraenol-d5

Analyte Name

17-Iodo-3-O-methyl Estratetraenol-d5

Molecular Formula

C19 D5 H18 I O

Molecular Weight

399.321

Accurate Mass

399.111

SMILES

[2H]C1([2H])[C@H]2[C@@H]3CC=C(I)[C@@]3(C)CC[C@]2([2H])c4ccc(OC)cc4C1([2H])[2H]

InChI

InChI=1S/C19H23IO/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,8,11,15-17H,3,5,7,9-10H2,1-2H3/t15-,16-,17+,19+/m1/s1/i3D2,5D2,15D

IUPAC

(8R,9S,13S,14S)-6,6,7,7,9-pentadeuterio-17-iodo-3-methoxy-13-methyl-11,12,14,15-tetrahydro-8H-cyclopenta[a]phenanthrene

Unlabelled CAS Number

105644-55-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat