(3beta,5beta,16beta)-3,14,16-Trihydroxy-19-Oxo-Card-20(22)-Enolide
[CAS# 468-17-7]

Identification

• Name: (3beta,5beta,16beta)-3,14,16-Trihydroxy-19-Oxo-Card-20(22)-Enolide
• Synonyms: (3S,5R,10R,13R,14S,16S,17R)-3,14,16-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; (3S,5R,10R,13R,14S,16S,17R)-3,14,16-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; 4-18-00-03148 (Beilstein Handbook Reference)
• Molecular Formula: C₂₃H₃₂O₆
• Molecular Weight: 404.50
• CAS Registry Number: 468-17-7
• SMILES: [C@]34([C@@](O)(C1C([C@@]2([C@H](CC1)C[C@@H](O)CC2)C=O)CC3)C[C@H](O)[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C23H32O6/c1-21-6-5-16-17(3-2-14-9-15(25)4-7-22(14,16)12-24)23(21,28)10-18(26)20(21)13-8-19(27)29-11-13/h8,12,14-18,20,25-26,28H,2-7,9-11H2,1H3/t14-,15+,16?,17?,18+,20+,21-,22-,23+/m1/s1
• InChIKey: IMQSXGFUSQSPIM-QLNVYLSKSA-N

Properties

• Density: 1.406g/cm³ (Cal.)
• Boiling point: 629.115°C at 760 mmHg (Cal.)
• Flash point: 218.169°C (Cal.)