Ethynyl Estradiol-13C2

Analyte Name

Ethynyl Estradiol-13C2

CAS Number

2483735-63-1

Molecular Formula

13C2 C18 H24 O2

Molecular Weight

298.3887

Accurate Mass

298.1843

SMILES

C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)[13C]#[13CH]

InChI

InChI=1S/C20H24O2/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/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1/i1+1,3+1

IUPAC

(8R,9S,13S,14S,17S)-17-(1,2-^{13}C_{2})ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Unlabelled CAS Number

57-63-6

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Ethynylestradiol

Purity

>95% (HPLC)