Cassinine

Molecular Formula: C44H51NO17


InChI: InChI=1/C44H51NO17/c1-9-28-17-18-31(51)60-34-22(2)44-37(61-40(52)29-14-11-10-12-15-29)32(42(8,62-44)20-55-41(53)30-16-13-19-45-33(28)30)35(56-24(4)47)38(58-26(6)49)43(44,21-54-23(3)46)39(59-27(7)50)36(34)57-25(5)48/h10-16,19,22,28,32,34-39H,9,17-18,20-21H2,1-8H3/t22-,28-,32-,34-,35-,36+,37-,38-,39+,42+,43-,44-/m1/s1

InChIKey: InChIKey=DSIMUNJDGBYLQE-NGZMAJMFBO
SMILES: CCC1CCC(=O)OC2C(C34C(C(C(C(C3(C(C2OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C(O4)(COC(=O)C5=C1N=CC=C5)C)OC(=O)C6=CC=CC=C6)C

Names:
    Cassinine
    C09934
    62948-58-7

Registries:
    PubChem CID 442516
    PubChem ID 12120