3b-(Acetyloxy)-14-Hydroxy-5b-Bufa-20,22-Dienolide
[CAS# 4029-66-7]

Identification

• Name: 3b-(Acetyloxy)-14-Hydroxy-5b-Bufa-20,22-Dienolide
• Synonyms: Acetic Acid [14-Hydroxy-10,13-Dimethyl-17-(6-Oxo-3-Pyranyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [14-Hydroxy-17-(6-Ketopyran-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [14-Hydroxy-10,13-Dimethyl-17-(6-Oxopyran-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₂₆H₃₆O₅
• Molecular Weight: 428.57
• CAS Registry Number: 4029-66-7
• SMILES: CC(OC5CCC4(C3CCC2(C(C1=COC(=O)C=C1)CCC2(O)C3CCC4C5)C)C)=O
• InChI: 1S/C26H36O5/c1-16(27)31-19-8-11-24(2)18(14-19)5-6-22-21(24)9-12-25(3)20(10-13-26(22,25)29)17-4-7-23(28)30-15-17/h4,7,15,18-22,29H,5-6,8-14H2,1-3H3
• InChIKey: QJSUIZPLMNMZDM-UHFFFAOYSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 560.969°C at 760 mmHg (Cal.)
• Flash point: 184.719°C (Cal.)