3b-Acetoxy-5,14-Dihydroxy-19-Oxo-5b-Bufa-20,22-Dienolide
[CAS# 4064-09-9]

Identification

• Name: 3b-Acetoxy-5,14-Dihydroxy-19-Oxo-5b-Bufa-20,22-Dienolide
• Synonyms: Acetic Acid [(3S,5S,8R,9S,10S,13R,14S,17R)-10-Formyl-5,14-Dihydroxy-13-Methyl-17-(6-Oxo-3-Pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3S,5S,8R,9S,10S,13R,14S,17R)-10-Formyl-5,14-Dihydroxy-17-(6-Ketopyran-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-10-Methanoyl-13-Methyl-17-(6-Oxopyran-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₂₆H₃₄O₇
• Molecular Weight: 458.55
• CAS Registry Number: 4064-09-9
• SMILES: [C@]24([C@@]([C@@H](C1=COC(C=C1)=O)CC2)(CC[C@@H]5[C@]3(CC[C@@H](C[C@]3(CC[C@@H]45)O)OC(=O)C)C=O)C)O
• InChI: 1S/C26H34O7/c1-16(28)33-18-5-10-24(15-27)20-6-9-23(2)19(17-3-4-22(29)32-14-17)8-12-26(23,31)21(20)7-11-25(24,30)13-18/h3-4,14-15,18-21,30-31H,5-13H2,1-2H3/t18-,19+,20-,21+,23+,24-,25-,26-/m0/s1
• InChIKey: VIOBLZMEZRNYRR-XDFZRXKSSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 619.31°C at 760 mmHg (Cal.)
• Flash point: 206.306°C (Cal.)