Analyte Name

7beta-Fulvestrant-d4

Molecular Formula

C32 D4 H43 F5 O3 S

Molecular Weight

610.795

Accurate Mass

610.342

SMILES

[2H]C([2H])(CCCCCCCC([2H])([2H])S(=O)CCCC(F)(F)C(F)(F)F)[C@H]1Cc2cc(O)ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]13

InChI

InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26+,27-,28-,29+,30-,41?/m0/s1/i10D2,18D2

IUPAC

(7S,8R,9S,13S,14S,17S)-13-methyl-7-[1,1,9,9-tetradeuterio-9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Unlabelled CAS Number

407577-53-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat