3-O-Benzyl 17Beta-Estradiol-d3 17-Acetate

Analyte Name

3-O-Benzyl 17beta-Estradiol-d3 17-Acetate

Molecular Formula

C27H29D3O3

Molecular Weight

407.56

Accurate Mass

407.75

SMILES

[H][C@@]12CCC3=CC(OCC4=CC=CC=C4)=CC=C3[C@@]1([H])CC[C@]5(C)[C@@]([2H])(OC(C)=O)C([2H])([2H])C[C@@]25[H]

InChI

InChI=1S/C27H32O3/c1-18(28)30-26-13-12-25-24-10-8-20-16-21(29-17-19-6-4-3-5-7-19)9-11-22(20)23(24)14-15-27(25,26)2/h3-7,9,11,16,23-26H,8,10,12-15,17H2,1-2H3/t23-,24-,25+,26?,27?/m1/s1/i13D2,26D

IUPAC

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

Unlabelled CAS Number

105546-97-2

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat