5-Methylbatrachotoxin

Molecular Formula: C₃₂H₄₄N₂O₆

InChI: InChI=1/C32H44N2O6/c1-18-19(2)33-20(3)26(18)27(36)39-21(4)23-9-10-31-24-8-7-22-15-30(37)12-11-28(22,5)32(24,40-30)25(35)16-29(23,31)17-34(6)13-14-38-31/h8-9,21-22,25,33,35,37H,7,10-17H2,1-6H3/t21u,22-,25-,28+,29?,30+,31u,32?/m1/s1

InChIKey: InChIKey=MBORMZYFFQKAPD-USTQTKKKBJ
SMILES: CC1=C(NC(=C1C(=O)OC(C)C2=CCC34C2(CC(C56C3=CCC7C5(CCC(C7)(O6)O)C)O)CN(CCO4)C)C)C

Names:
    BATRACHOTOXININ A, 20-alpha-(2,4,5-TRIMETHYL-1H-PYRROLE-3-CARBOXYLATE)
    Batrachotoxinin A, 20-(2,4,5-trimethylpyrrole-3-carboxylate)
    Batrachotoxinin A, 20-(2,4,5-trimetyl-1H-pyrrole-3-carboxylate)
    BRN 1613226
    23509-21-9
    5-Methylbatrachotoxin

Registries:
    PubChem CID 31960
    PubChem ID 173976