3-O-Methyl 6-Hydroxy-17Beta-estradiol-d3 17-O-Tetrahydropyran

Analyte Name

3-O-Methyl 6-Hydroxy-17beta-estradiol-d3 17-O-Tetrahydropyran

Molecular Formula

C24H31D3O4

Molecular Weight

389.54

Accurate Mass

389.26

SMILES

OC1([2H])C2=CC(OC)=CC=C2[C@]3([H])[C@@]([C@@]4([H])[C@]([C@@H](OC5OCCCC5)CC4)(C)CC3)([H])C1([2H])[2H]

InChI

InChI=1S/C24H34O4/c1-24-11-10-17-16-7-6-15(26-2)13-19(16)21(25)14-18(17)20(24)8-9-22(24)28-23-5-3-4-12-27-23/h6-7,13,17-18,20-23,25H,3-5,8-12,14H2,1-2H3/t17-,18-,20+,21?,22+,23?,24+/m1/s1/i14D2,21D

IUPAC

(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-17-((tetrahydro-2H-pyran-2-yl)oxy)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6,7,7-d3-6-ol

Unlabelled CAS Number

473882-84-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat