(+/-)-Bocconarborine A

Molecular Formula: C44H36N2O9


InChI: InChI=1/C44H36N2O9/c1-45-32(31-18-40-39(54-21-55-40)17-30(31)27-8-6-23-12-36-38(53-20-51-36)16-29(23)43(27)45)13-24(47)14-33-41-25(9-10-34(48-3)44(41)49-4)26-7-5-22-11-35-37(52-19-50-35)15-28(22)42(26)46(33)2/h5-12,15-18,32-33H,13-14,19-21H2,1-4H3/t32-,33+/m0/s1

InChIKey: InChIKey=MQZDOSAHCDNWQT-JHOUSYSJBD
SMILES: CN1C(C2=CC3=C(C=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OCO3)CC(=O)CC7C8=C(C=CC(=C8OC)OC)C9=C(N7C)C1=CC2=C(C=C1C=C9)OCO2

Names:
    C12196
    (+/-)-Bocconarborine A

Registries:
    PubChem CID 443696
    PubChem ID 14342