Batrachotoxinin A 20-(5-Ethyl-2,4-Dimethyl-1H-Pyrrole-3-Carboxylate)
[CAS# 23509-22-0]

Identification

• Name: Batrachotoxinin A 20-(5-Ethyl-2,4-Dimethyl-1H-Pyrrole-3-Carboxylate)
• Synonyms: Batrachotoxinin A, 20-Alpha-(2,4-Dimethyl-5-Ethyl-1H-Pyrrole-3-Carboxylate)
• Molecular Formula: C₃₃H₄₆N₂O₆
• Molecular Weight: 566.74
• CAS Registry Number: 23509-22-0
• 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)CC)C)C)C)CC7)C
• InChI: 1S/C33H46N2O6/c1-7-24-19(2)27(20(3)34-24)28(37)40-21(4)23-10-11-32-25-9-8-22-16-31(38)13-12-29(22,5)33(25,41-31)26(36)17-30(23,32)18-35(6)14-15-39-32/h9-10,21-22,26,34,36,38H,7-8,11-18H2,1-6H3/t21?,22-,26-,29+,30?,31+,32+,33?/m1/s1
• InChIKey: MMEKKZYBEQHKCI-PULVHBKXSA-N