3-Epibufalin
[CAS# 465-20-3]

Identification

• Name: 3-Epibufalin
• Synonyms: 5-(3,14-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl)-2-Pyranone; 5.Beta.-Bufa-20,22-Dienolide, 3.Beta.,14-Dihydroxy-; Bufa-20,22-Dienolide, 3,14-Dihydroxy-, (3.Beta.,5.Beta.)-
• Molecular Formula: C₂₄H₃₄O₄
• Molecular Weight: 386.53
• CAS Registry Number: 465-20-3
• SMILES: CC34C(C2C(C1(C(CC(O)CC1)CC2)C)CC3)(CCC4C5=COC(C=C5)=O)O
• InChI: 1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3
• InChIKey: QEEBRPGZBVVINN-UHFFFAOYSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 556.567°C at 760 mmHg (Cal.)
• Flash point: 189.034°C (Cal.)