3beta-(Acetyloxy)-1beta,5,14-Trihydroxy-19-Oxo-5beta-Bufa-20,22-Dienolide
[CAS# 23044-72-6]

Identification

• Name: 3beta-(Acetyloxy)-1beta,5,14-Trihydroxy-19-Oxo-5beta-Bufa-20,22-Dienolide
• Synonyms: Acetic Acid [10-Formyl-1,5,14-Trihydroxy-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 [10-Formyl-1,5,14-Trihydroxy-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; [1,5,14-Trihydroxy-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: C₂₆H₃₄O₈
• Molecular Weight: 474.55
• CAS Registry Number: 23044-72-6
• SMILES: CC34CCC2C1(C(CC(CC1O)OC(=O)C)(CCC2C3(CCC4C5=COC(C=C5)=O)O)O)C=O
• InChI: 1S/C26H34O8/c1-15(28)34-17-11-21(29)25(14-27)19-5-8-23(2)18(16-3-4-22(30)33-13-16)7-10-26(23,32)20(19)6-9-24(25,31)12-17/h3-4,13-14,17-21,29,31-32H,5-12H2,1-2H3
• InChIKey: BSHOWDODIUWLNU-UHFFFAOYSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 650.954°C at 760 mmHg (Cal.)
• Flash point: 217.346°C (Cal.)