Batrachotoxinin A, 20-alpha-(4,5-Dimethyl-1H-Pyrrole-3-Carboxylate)
[CAS# 32476-55-4]

Identification

• Name: Batrachotoxinin A, 20-alpha-(4,5-Dimethyl-1H-Pyrrole-3-Carboxylate)
• Synonyms: Batrachotoxinin A, 20-(4,5-Dimethylpyrrole-3-Carboxylate); 4,5-Dimethylbatrachotoxin
• Molecular Formula: C₃₁H₄₂N₂O₆
• Molecular Weight: 538.68
• CAS Registry Number: 32476-55-4
• SMILES: [C@]17(C24O[C@](O)(C[C@H]1CC=C2[C@]35OCCN(CC3(C[C@H]4O)C(=CC5)C(OC(=O)C6=C[NH]C(=C6C)C)C)C)CC7)C
• InChI: 1S/C31H42N2O6/c1-18-19(2)32-16-22(18)26(35)38-20(3)23-8-9-30-24-7-6-21-14-29(36)11-10-27(21,4)31(24,39-29)25(34)15-28(23,30)17-33(5)12-13-37-30/h7-8,16,20-21,25,32,34,36H,6,9-15,17H2,1-5H3/t20?,21-,25-,27+,28?,29+,30+,31?/m1/s1
• InChIKey: KSUKORCMHPRGFT-NARMBRKISA-N