3beta,5,14,19-Tetrahydroxy-5beta-Bufa-20,22-Dienolide
[CAS# 508-79-2]

Identification

• Name: 3beta,5,14,19-Tetrahydroxy-5beta-Bufa-20,22-Dienolide
• Synonyms: 5-[3,5,14-Trihydroxy-10-(Hydroxymethyl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Pyranone; 5-(3,5,14-Trihydroxy-13-Methyl-10-Methylol-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl)Pyran-2-One; Bufa-20,22-Dienolide, 3,5,14,19-Tetrahydroxy-, (3Beta,5Beta)-
• Molecular Formula: C₂₄H₃₄O₆
• Molecular Weight: 418.53
• CAS Registry Number: 508-79-2
• SMILES: C(C45C3C(C2(C(C(C1=COC(C=C1)=O)CC2)(CC3)C)O)CCC4(CC(O)CC5)O)O
• InChI: 1S/C24H34O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13,16-19,25-26,28-29H,4-12,14H2,1H3
• InChIKey: ABVKNZHLRVHZSO-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 635.405°C at 760 mmHg (Cal.)
• Flash point: 217.667°C (Cal.)