4-Hydroxyestradiol-3,4-dibenzoate

Molecular Formula: C32H32O5


InChI: InChI=1/C32H32O5/c1-32-19-18-23-22-14-16-27(36-30(34)20-8-4-2-5-9-20)29(37-31(35)21-10-6-3-7-11-21)25(22)13-12-24(23)26(32)15-17-28(32)33/h2-11,14,16,23-24,26,28,33H,12-13,15,17-19H2,1H3/t23-,24-,26+,28+,32+/m1/s1

InChIKey: InChIKey=QDVOPEJPVDIRMO-IZUDCGBRBI
SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Names:
    Estra-1,3,5(10)-triene-3,4,17-triol, 3,4-dibenzoate, (17beta)-
    4-Hedb
    4-Hydroxyestradiol-3,4-dibenzoate
    79795-26-9
    [(8S,9S,13S,14S,17S)-3-benzoyloxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-yl] benzoate

Registries:
    PubChem CID 67096
    PubChem ID 209206