3-Oxo-14-Hydroxy-5b-Bufa-20,22-Dienolide
[CAS# 4029-65-6]

Identification

• Name: 3-Oxo-14-Hydroxy-5b-Bufa-20,22-Dienolide
• Synonyms: 5-(14-Hydroxy-10,13-Dimethyl-3-Oxo-2,4,5,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl)-2-Pyranone; 5-(14-Hydroxy-3-Keto-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl)Pyran-2-One; Nsc248519
• Molecular Formula: C₂₄H₃₂O₄
• Molecular Weight: 384.51
• CAS Registry Number: 4029-65-6
• SMILES: CC34C(O)(C1C(C2(C(CC1)CC(=O)CC2)C)CC3)CCC4C5=COC(=O)C=C5
• InChI: 1S/C24H32O4/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/h3,6,14,16,18-20,27H,4-5,7-13H2,1-2H3
• InChIKey: YHPFWEDUGHFFTA-UHFFFAOYSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 555.744°C at 760 mmHg (Cal.)
• Flash point: 189.606°C (Cal.)