3-(2-Iodobenzoyl)estradiol

Molecular Formula: C25H27IO3


InChI: InChI=1/C25H27IO3/c1-25-13-12-18-17-9-7-16(29-24(28)20-4-2-3-5-22(20)26)14-15(17)6-8-19(18)21(25)10-11-23(25)27/h2-5,7,9,14,18-19,21,23,27H,6,8,10-13H2,1H3/t18-,19-,21+,23+,25+/m1/s1

InChIKey: InChIKey=PDYZTYQFBVSZTJ-CWWQDXLCBL
SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5I

Names:
    Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(2-iodobenzoate)
    3-(2-Iodobenzoyl)estradiol
    91999-13-2
    [(8S,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-iodobenzoate

Registries:
    PubChem CID 67375
    PubChem ID 209486