Batrachotoxinin A 20-(2,4,5-Trimethyl-1H-Pyrrole-3-Carboxylate)
[CAS# 23509-21-9]

Identification

• Name: Batrachotoxinin A 20-(2,4,5-Trimethyl-1H-Pyrrole-3-Carboxylate)
• Synonyms: Brn 1613226; Batrachotoxinin A, 20-(2,4,5-Trimethylpyrrole-3-Carboxylate); Batrachotoxinin A, 20-(2,4,5-Trimetyl-1H-Pyrrole-3-Carboxylate)
• Molecular Formula: C₃₂H₄₄N₂O₆
• Molecular Weight: 552.71
• CAS Registry Number: 23509-21-9
• 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)C)CC7)C
• InChI: 1S/C32H44N2O6/c1-18-19(2)33-20(3)26(18)27(36)39-21(4)23-9-10-31-24-8-7-22-15-30(37)12-11-28(22,5)32(24,40-30)25(35)16-29(23,31)17-34(6)13-14-38-31/h8-9,21-22,25,33,35,37H,7,10-17H2,1-6H3/t21?,22-,25-,28+,29?,30+,31+,32?/m1/s1
• InChIKey: MBORMZYFFQKAPD-CHTMVKQESA-N