MESTRANOL BICARBONATE

Molecular Formula: C22H27O5-


InChI: InChI=1/C21H26O2.CH2O3/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;2-1(3)4/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3;(H2,2,3,4)/p-1/t17-,18-,19+,20+,21+;/m1./s1/fC21H26O2.CHO3/h;2H/q;-1

InChIKey: InChIKey=PXKVSOHNMXMSSB-BQOIOISXDN
SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC.C(=O)(O)[O-]

Names:
    MESTRANOL BICARBONATE
    (8S,9S,13S,14S,17S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol; hydroxyformate
    7487-98-1

Registries:
    PubChem CID 24086
    PubChem ID 166610