Bryotoxin C
[CAS# 105608-32-0]

Identification

• Name: Bryotoxin C
• Synonyms: Bufa-20,22-Dienolide, 1,3,5-(Ethylidynetris(Oxy))-11,14-Dihydroxy-19-Oxo-, (1Beta(R),3Beta,5Beta,11Alpha)-
• Molecular Formula: C₂₆H₃₂O₈
• Molecular Weight: 472.53
• CAS Registry Number: 105608-32-0
• SMILES: [C@]15([C@]3(O[C@]2(O[C@@H]1C[C@H](O2)C3)C)CC[C@H]6[C@]4(CC[C@@H]([C@]4(C[C@H]([C@H]56)O)C)C7=COC(C=C7)=O)O)C=O
• InChI: 1S/C26H32O8/c1-22-11-18(28)21-17(26(22,30)8-6-16(22)14-3-4-20(29)31-12-14)5-7-24-10-15-9-19(25(21,24)13-27)33-23(2,32-15)34-24/h3-4,12-13,15-19,21,28,30H,5-11H2,1-2H3/t15-,16+,17+,18+,19+,21+,22+,23+,24-,25+,26-/m0/s1
• InChIKey: BMRNQSAXDJQXEL-BGJAGFQLSA-N

Properties

• Density: 1.441g/cm³ (Cal.)
• Boiling point: 653.44°C at 760 mmHg (Cal.)
• Flash point: 221.755°C (Cal.)