Bufadienolide
[CAS# 29565-35-3]

Identification

• Name: Bufadienolide
• Synonyms: 5-[(8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Pyranone
• Molecular Formula: C₂₄H₃₄O₂
• Molecular Weight: 354.53
• CAS Registry Number: 29565-35-3
• SMILES: [C@@H]23CCC1CCCC[C@@]1([C@H]2CC[C@]4([C@H]3CC[C@@H]4C5=COC(=O)C=C5)C)C
• InChI: 1S/C24H34O2/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23/h6,11,15,17-21H,3-5,7-10,12-14H2,1-2H3/t17?,18-,19+,20-,21-,23-,24+/m0/s1
• InChIKey: YBPMPRDOWHIVNA-JKBCNOLGSA-N

Properties

• Density: 1.086g/cm³ (Cal.)
• Boiling point: 485.922°C at 760 mmHg (Cal.)
• Flash point: 205.734°C (Cal.)