Homobatrachotoxin
[CAS# 23509-17-3]

Identification

• Name: Homobatrachotoxin
• Synonyms: Brn 1613465; Batrachotoxinin A, 20-(2-Ethyl-4-Methyl-1H-Pyrrole-3-Carboxylate); Homobatrachotoxin
• Molecular Formula: C₃₂H₄₄N₂O₆
• Molecular Weight: 552.71
• CAS Registry Number: 23509-17-3
• 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)CC7)C
• InChI: 1S/C32H44N2O6/c1-6-23-26(19(2)17-33-23)27(36)39-20(3)22-9-10-31-24-8-7-21-15-30(37)12-11-28(21,4)32(24,40-30)25(35)16-29(22,31)18-34(5)13-14-38-31/h8-9,17,20-21,25,33,35,37H,6-7,10-16,18H2,1-5H3/t20?,21-,25-,28+,29?,30+,31+,32?/m1/s1
• InChIKey: PRSLQQJCHZFAHB-DYLLESBTSA-N