Analyte Name

3-O-Benzyl 17alpha-Estradiol-d3

Molecular Formula

C24H27D3O2

Molecular Weight

365.52

Accurate Mass

365.24

SMILES

O[C@@]1([2H])[C@@]2(C)CC[C@@]3([H])[C@@]([C@]2([H])CC1([2H])[2H])([H])CCC4=C3C=CC(OCC5=CC=CC=C5)=C4

InChI

InChI=1S/C25H30O2/c1-25-14-13-21-20-10-8-19(27-16-17-5-3-2-4-6-17)15-18(20)7-9-22(21)23(25)11-12-24(25)26/h2-6,8,10,15,21-24,26H,7,9,11-14,16H2,1H3/t21-,22-,23+,24-,25?/m1/s1/i12D2,24D

IUPAC

(8R,9S,13S,14S,17R)-3-(benzyloxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16,16,17-d3-17-ol

Unlabelled CAS Number

23880-59-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat