Homobatrachotoxin

Molecular Formula: C₃₂H₄₄N₂O₆

InChI: InChI=1/C32H44N2O6/c1-6-23-26(19(2)17-33-23)27(36)39-20(3)22-9-10-31-24-8-7-21-15-30(37)12-11-28(21,4)32(24,40-30)25(35)16-29(22,31)18-34(5)13-14-38-31/h8-9,17,20-21,25,33,35,37H,6-7,10-16,18H2,1-5H3/t20u,21-,25-,28+,29?,30+,31u,32?/m1/s1

InChIKey: InChIKey=PRSLQQJCHZFAHB-OZTJJNOOBI
SMILES: CCC1=C(C(=CN1)C)C(=O)OC(C)C2=CCC34C2(CC(C56C3=CCC7C5(CCC(C7)(O6)O)C)O)CN(CCO4)C

Names:
    BATRACHOTOXININ A, 20-alpha-(2-ETHYL-4-METHYL-1H-PYRROLE-3-CARBOXYLATE)
    Batrachotoxinin A, 20-(2-ethyl-4-methyl-1H-pyrrole-3-carboxylate)
    BRN 1613465
    Homobatrachotoxin
    23509-17-3

Registries:
    PubChem CID 31959
    PubChem ID 173975