1-Bromoestradiol

Molecular Formula: C18H23BrO2


InChI: InChI=1/C18H23BrO2/c1-18-7-6-13-12(14(18)4-5-16(18)21)3-2-10-8-11(20)9-15(19)17(10)13/h8-9,12-14,16,20-21H,2-7H2,1H3/t12-,13+,14+,16+,18+/m1/s1/i19-3

InChIKey: InChIKey=RFIKGEXHGJJIHW-BWFAEJMXFN
SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=CC(=C34)Br)O

Names:
    (8S,9S,13S,14S,17S)-1-bromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
    1-Bromoestradiol
    97794-69-9

Registries:
    PubChem CID 67381
    PubChem ID 209492