Cacotheline

Molecular Formula: C₂₁H₂₁N₃O₇

InChI: InChI=1/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)/t10-,13-,14-,16-,20-,21+/m0/s1/f/h26H

InChIKey: InChIKey=IVEMPCACOMNRGI-USCMCJGQDZ
SMILES: C1CN2CC3=CCOC(C4C3CC2C15C4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)O

Names:
    AI3-18782
    Cacotheline
    EINECS 209-215-6
    NSC 5069
    1355-04-0
    561-20-6
    7,9-Methano-7H-oxepino(3,4-a)pyrrolo(2,3-d)carbazole-13-acetic acid, 2,3,5,6,7a,8,8a,11,13,13a,13b,14-dodecahydro-1-nitro-2,3-dioxo-, (4bS,7S,7aS,8aR,13S,13aR,13bS)-
    9,10-Secostrychnidin-10-oic acid, 2,3-dihydro-4-nitro-2,3-dioxo- (9CI)

Registries:
    PubChem CID 68413
    PubChem ID 210534