Analyte Name

Ethinyl Estradiol Dimer Impurity 2

CAS Number

303014-91-7

Molecular Formula

C40 H46 O4

Molecular Weight

590.791

Accurate Mass

590.34

SMILES

C[C@]12CC[C@H]3[C@@H](CCc4cc(Oc5cc6[C@H]7CC[C@@]8(C)[C@@H](CC[C@@]8(O)C#C)[C@@H]7CCc6cc5O)ccc34)[C@@H]1CC[C@@]2(O)C#C

InChI

InChI=1S/C40H46O4/c1-5-39(42)19-15-33-30-10-7-24-21-26(9-12-27(24)28(30)13-17-37(33,39)3)44-36-23-32-25(22-35(36)41)8-11-31-29(32)14-18-38(4)34(31)16-20-40(38,43)6-2/h1-2,9,12,21-23,28-31,33-34,41-43H,7-8,10-11,13-20H2,3-4H3/t28-,29+,30-,31-,33+,34+,37+,3

IUPAC

(8R,9S,13S,14S,17R)-17-ethynyl-2-[[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat