Analyte Name

Estradiol 3,17-Bis(enanthate-d13)

Molecular Formula

C32H22D26O4

Molecular Weight

522.89

Accurate Mass

522.52

SMILES

C[C@@]12[C@](CC[C@@H]2OC(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])([2H])[2H])[2H])[2H])[2H])[2H])[2H])=O)([H])[C@@]3([H])[C@@](CC1)([H])C4=CC=C(OC(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])([2H])[2H])[2H])[2H])[2H])[2H])[2H])=O)C=C4CC3

InChI

InChI=1S/C32H48O4/c1-4-6-8-10-12-30(33)35-24-15-17-25-23(22-24)14-16-27-26(25)20-21-32(3)28(27)18-19-29(32)36-31(34)13-11-9-7-5-2/h15,17,22,26-29H,4-14,16,18-21H2,1-3H3/t26-,27-,28+,29+,32+/m1/s1/i1D3,2D3,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2

IUPAC

(8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl bis(heptanoate-d13)

Unlabelled CAS Number

7732-97-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat