Icaceine

Molecular Formula: C22H33NO4


InChI: InChI=1/C22H33NO4/c1-20-9-7-16(24)22(3)17(20)14(27-19(22)25)10-12-13(20)6-8-21(2)15(23(4)5)11-26-18(12)21/h10,13-18,24H,6-9,11H2,1-5H3/t13u,14-,15?,16+,17-,18?,20-,21u,22+/m1/s1

InChIKey: InChIKey=MRVMMDQTZLIFLF-IYDGXPKYBO
SMILES: CC12CCC(C3(C1C(C=C4C2CCC5(C4OCC5N(C)C)C)OC3=O)C)O

Names:
    C08689
    Icaceine
    74991-71-2

Registries:
    PubChem CID 441738
    PubChem ID 10882