Calotropagenin
[CAS# 24211-64-1]

Identification

• Name: Calotropagenin
• Synonyms: (2R,3R,5S,8R,9S,10R,13R,17R)-2,3,14-Trihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-10-Carboxaldehyde; (2R,3R,5S,8R,9S,10R,13R,17R)-2,3,14-Trihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde; 4-18-00-03123 (Beilstein Handbook Reference)
• Molecular Formula: C₂₃H₃₂O₆
• Molecular Weight: 404.50
• CAS Registry Number: 24211-64-1
• SMILES: [C@H]13[C@@H]([C@@]2([C@@H](CC1)C[C@@H](O)[C@H](O)C2)C=O)CC[C@]4(C3(O)CC[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C23H32O6/c1-21-6-4-16-17(3-2-14-9-18(25)19(26)10-22(14,16)12-24)23(21,28)7-5-15(21)13-8-20(27)29-11-13/h8,12,14-19,25-26,28H,2-7,9-11H2,1H3/t14-,15+,16-,17+,18+,19+,21+,22+,23?/m0/s1
• InChIKey: VRDLGTLMAZPOMK-ULYMASLISA-N

Properties

• Density: 1.406g/cm³ (Cal.)
• Boiling point: 606.05°C at 760 mmHg (Cal.)
• Flash point: 209.192°C (Cal.)