Analyte Name

9(11)-Dehydromestranol

CAS Number

1096-29-3

Molecular Formula

C21H24O2

Molecular Weight

308.42

Accurate Mass

308.18

SMILES

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

InChI

InChI=1S/C21H24O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8-9,13,18-19,22H,5,7,10-12H2,2-3H3/t18-,19+,20+,21+/m1/s1

IUPAC

(8S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-ol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat