Batrachotoxin
[CAS# 23509-16-2]

Identification

• Name: Batrachotoxin
• Synonyms: Betrachotoxinin A, 20-Alpha-(2,4-Dimethyl-1H-Pyrrole-3-Carboxylate) (9Ci); Batrachotoxin
• Molecular Formula: C₃₁H₄₂N₂O₆
• Molecular Weight: 538.68
• CAS Registry Number: 23509-16-2
• 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/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20?,21-,24-,27+,28?,29+,30+,31?/m1/s1
• InChIKey: ISNYUQWBWALXEY-MXHVQNHZSA-N