3b-Acetoxy-16b-Hydroxy-14,15b-Epoxy-5b-Bufa-20,22-Dienolide
[CAS# 4026-96-4]

Identification

• Name: 3b-Acetoxy-16b-Hydroxy-14,15b-Epoxy-5b-Bufa-20,22-Dienolide
• Synonyms: Nsc248530; 5.Beta.-Bufa-20,22-Dienolide, 14,15.Beta.-Epoxy-3.Beta.,16.Beta.-Dihydroxy-, 3-Acetate; Bufa-20,22-Dienolide, 3-(Acetyloxy)-14,15-Epoxy-16-Hydroxy-, (3.Beta.,5.Beta.,15.Beta.,16.Beta.)-
• Molecular Formula: C₂₆H₃₄O₆
• Molecular Weight: 442.55
• CAS Registry Number: 4026-96-4
• SMILES: CC(OC6CCC5(C4CCC2(C(C1=COC(=O)C=C1)C(O)C3OC23C4CCC5C6)C)C)=O
• InChI: 1S/C26H34O6/c1-14(27)31-17-8-10-24(2)16(12-17)5-6-19-18(24)9-11-25(3)21(15-4-7-20(28)30-13-15)22(29)23-26(19,25)32-23/h4,7,13,16-19,21-23,29H,5-6,8-12H2,1-3H3
• InChIKey: VHZDDRQWQKLKSL-UHFFFAOYSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 601.287°C at 760 mmHg (Cal.)
• Flash point: 201.744°C (Cal.)