Analyte Name

Estradiol 17-Palmitate-d31

Molecular Formula

C34H23D31O3

Molecular Weight

541.99

Accurate Mass

541.6

SMILES

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

InChI

InChI=1S/C34H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(36)37-32-22-21-31-30-19-17-26-25-27(35)18-20-28(26)29(30)23-24-34(31,32)2/h18,20,25,29-32,35H,3-17,19,21-24H2,1-2H3/t29-,30-,31+,32+,34+/m1/s1/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2

IUPAC

(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl hexadecanoate-d31

Unlabelled CAS Number

5776-45-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat