9,11-Dehydro Ethynyl Estradiol

Analyte Name

9,11-Didehydroethinylestradiol

CAS Number

1231-96-5

Molecular Formula

C20 H22 O2

Molecular Weight

294.39

Accurate Mass

294.162

Flash Point

-20

SMILES

C[C@]12CC=C3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C

InChI

InChI=1S/C20H22O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7-8,12,17-18,21-22H,4,6,9-11H2,2H3/t17-,18+,19+,20+/m1/s1

IUPAC

(8S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Ethinylestradiol; Estradiol

Purity

>95% (HPLC)