(+-)-2,3-DEHYDROEMETINE HYDROCHLORIDE

Molecular Formula: C₂₉H₃₉ClN₂O₄

InChI: InChI=1/C29H38N2O4.ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;/h13-16,24-25,30H,6-12,17H2,1-5H3;1H/fC29H39N2O4.Cl/h30H;1h/q+1;-1

InChIKey: InChIKey=DHRVPMDKONQKAP-NIVVQTKTCA
SMILES: CCC1=C(CC2C3=CC(=C(C=C3CCN2C1)OC)OC)CC4C5=CC(=C(C=C5CC[NH2+]4)OC)OC.[Cl-]

Names:
    EINECS 222-013-2
    Emetan, 2,3-didehydro-6',7',10,11-tetramethoxy-, monohydrochloride, (1)-
    (+-)-2,3-DEHYDROEMETINE HYDROCHLORIDE
    3317-75-7

Registries:
    PubChem CID 18722
    PubChem ID 161712