Analyte Name

17-(Ethynyl-13C2)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-19-norpregna-1,3,5(10)-trien-20-yn-17-ol

Molecular Formula

13C2 C23 H32 O3

Molecular Weight

382.505

Accurate Mass

382.242

SMILES

C[C@]12CC[C@H]3[C@@H](CCc4cc(OC5CCCCO5)ccc34)[C@@H]1CC[C@@]2(O)[13C]#[13CH]

InChI

InChI=1S/C25H32O3/c1-3-25(26)14-12-22-21-9-7-17-16-18(28-23-6-4-5-15-27-23)8-10-19(17)20(21)11-13-24(22,25)2/h1,8,10,16,20-23,26H,4-7,9,11-15H2,2H3/t20-,21-,22+,23?,24+,25+/m1/s1/i1+1,3+1

IUPAC

(8R,9S,13S,14S,17R)-17-(1,2-13C2)ethynyl-13-methyl-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat