Strychnotoxin I

Molecular Formula: C40H48N4O2+2


InChI: InChI=1/C40H48N4O2/c1-5-23-21-43(3)17-15-37-27-11-7-10-14-30(27)42-36-34-26-20-32-38(16-18-44(32,4)22-24(26)6-2)28-12-8-9-13-29(28)41(40(34,38)46)35(36)33(39(37,42)45)25(23)19-31(37)43/h5-14,25-26,31-36,45-46H,15-22H2,1-4H3/q+2

InChIKey: InChIKey=HVWCEUHZKLPKRE-UHFFFAOYAM
SMILES: CC=C1C[N+]2(CCC34C2CC1C5C3(N(C6C5N7C8=CC=CC=C8C91C7(C6C2CC9[N+](CC1)(CC2=CC)C)O)C1=CC=CC=C41)O)C

Names:
    Calebassine
    C-CALEBASSINE
    C-Calebassin
    C-Toxiferine II
    C-Toxiferin II
    Strychnotoxin I
    7257-29-6

Registries:
    PubChem CID 6433496
    PubChem ID 166251