Batrachotoxinin A 20-alpha-benzoate
[CAS# 78870-19-6]

Identification

• Name: Batrachotoxinin A 20-alpha-benzoate
• Synonyms: Batrachotoxinin A 20-Alpha-Benzoate; Batrachotoxinin A, 20-Benzoate; Batrachotoxinin Benzoate
• Molecular Formula: C₃₁H₃₉NO₆
• Molecular Weight: 521.65
• CAS Registry Number: 78870-19-6
• SMILES: [C@]17(C24O[C@](O)(C[C@H]1CC=C2C35OCCN(CC3(C[C@H]4O)C(=CC5)[C@@H](OC(=O)C6=CC=CC=C6)C)C)CC7)C
• InChI: 1S/C31H39NO6/c1-20(37-26(34)21-7-5-4-6-8-21)23-11-12-30-24-10-9-22-17-29(35)14-13-27(22,2)31(24,38-29)25(33)18-28(23,30)19-32(3)15-16-36-30/h4-8,10-11,20,22,25,33,35H,9,12-19H2,1-3H3/t20-,22+,25+,27-,28?,29-,30?,31?/m0/s1
• InChIKey: BQDUFJGPBNLKPK-VJUNSIHQSA-N