Bryotoxin B
[CAS# 105608-31-9]

Identification

• Name: Bryotoxin B
• Synonyms: Bufa-20,22-Dienolide, 1,3,5-(Ethylidynetris(Oxy))-11,14,19-Trihydroxy-12-Oxo-, (1Beta(R),3Beta,5Beta,11Alpha)-
• Molecular Formula: C₂₆H₃₂O₉
• Molecular Weight: 488.53
• CAS Registry Number: 105608-31-9
• SMILES: [C@]45([C@@H]1[C@H]([C@]2(O)[C@](C(=O)C1O)([C@H](CC2)C3=COC(=O)C=C3)C)CC[C@@]47O[C@]6(O[C@@H]5C[C@H](O6)C7)C)CO
• InChI: 1S/C26H32O9/c1-22-15(13-3-4-18(28)32-11-13)6-8-26(22,31)16-5-7-24-10-14-9-17(34-23(2,33-14)35-24)25(24,12-27)19(16)20(29)21(22)30/h3-4,11,14-17,19-20,27,29,31H,5-10,12H2,1-2H3/t14-,15+,16+,17+,19+,20?,22-,23+,24-,25+,26-/m0/s1
• InChIKey: GWAJSVNDQHKYPG-REKRVTMDSA-N

Properties

• Density: 1.503g/cm³ (Cal.)
• Boiling point: 701.864°C at 760 mmHg (Cal.)
• Flash point: 238.822°C (Cal.)