5-Acetylbatrachotoxin

Molecular Formula: C₃₃H₄₄N₂O₇

InChI: InChI=1/C33H44N2O7/c1-18-26(19(2)34-27(18)20(3)36)28(38)41-21(4)23-9-10-32-24-8-7-22-15-31(39)12-11-29(22,5)33(24,42-31)25(37)16-30(23,32)17-35(6)13-14-40-32/h8-9,21-22,25,34,37,39H,7,10-17H2,1-6H3/t21u,22-,25-,29+,30?,31+,32u,33?/m1/s1

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

Names:
    BATRACHOTOXININ A, 20-alpha-(2,4-DIMETHYL-5-ACETYL-1H-PYRROLE-3-CARBOXYLATE)
    Batrachotoxinin A, 20-(5-acetyl-2,4-dimethylpyrrole-3-carboxylate)
    Batrachotoxinin A, 20-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate)
    BRN 1613908
    23509-23-1
    5-Acetylbatrachotoxin

Registries:
    PubChem CID 31962
    PubChem ID 173978