6beta-(Acetyloxy)-3beta,8,14-Trihydroxybufa-4,20,22-Trienolide
[CAS# 507-59-5]

Identification

• Name: 6beta-(Acetyloxy)-3beta,8,14-Trihydroxybufa-4,20,22-Trienolide
• Synonyms: Acetic Acid [3,8,14-Trihydroxy-10,13-Dimethyl-17-(6-Oxo-3-Pyranyl)-2,3,6,7,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-Yl] Ester; Acetic Acid [3,8,14-Trihydroxy-17-(6-Ketopyran-3-Yl)-10,13-Dimethyl-2,3,6,7,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-Yl] Ester; [3,8,14-Trihydroxy-10,13-Dimethyl-17-(6-Oxopyran-3-Yl)-2,3,6,7,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-Yl] Ethanoate
• Molecular Formula: C₂₆H₃₄O₇
• Molecular Weight: 458.55
• CAS Registry Number: 507-59-5
• SMILES: CC12CCC(O)C=C1C(OC(C)=O)CC3(C2CCC4(C)C3(O)CCC4C5=COC(C=C5)=O)O
• InChI: 1S/C26H34O7/c1-15(27)33-20-13-25(30)21(23(2)9-6-17(28)12-19(20)23)8-10-24(3)18(7-11-26(24,25)31)16-4-5-22(29)32-14-16/h4-5,12,14,17-18,20-21,28,30-31H,6-11,13H2,1-3H3
• InChIKey: SOJXCEWHLPYBAF-UHFFFAOYSA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 619.165°C at 760 mmHg (Cal.)
• Flash point: 206.249°C (Cal.)