Caesalpinine A

Molecular Formula: C₂₅H₃₁N₃O₃

InChI: InChI=1/C25H31N3O3/c29-22-15-21(18-9-3-1-4-10-18)26-13-7-8-14-28-17-20(16-27-22)23(25(28)31)24(30)19-11-5-2-6-12-19/h1-6,9-12,20-21,23-24,26,30H,7-8,13-17H2,(H,27,29)/t20-,21+,23+,24+/m0/s1/f/h27H

InChIKey: InChIKey=SHBCCFGHZDXOET-DIVKJIMHDE
SMILES: C1CCN2CC(CNC(=O)CC(NC1)C3=CC=CC=C3)C(C2=O)C(C4=CC=CC=C4)O

Names:
    Caesalpinine A
    NSC378247
    (7R,12S,13R)-13-[(S)-hydroxy-phenyl-methyl]-7-phenyl-1,6,10-triazabicyclo[10.2.1]pentadecane-9,14-dione
    85702-14-3

Registries:
    PubChem CID 5458904
    PubChem ID 8141584