3beta,14,15beta-Trihydroxy-19-Oxo-5alpha-Card-20(22)-Enolide
[CAS# 14155-65-8]

Identification

• Name: 3beta,14,15beta-Trihydroxy-19-Oxo-5alpha-Card-20(22)-Enolide
• Synonyms: (3S,5S,10R,13R,14S,15R,17R)-3,14,15-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,5S,10R,13R,14S,15R,17R)-3,14,15-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; Card-20(22)-Enolide, 19-Oxo-3,14,15-Trihydroxy-, (3-Beta,5-Alpha,15-Beta)-
• Molecular Formula: C₂₃H₃₂O₆
• Molecular Weight: 404.50
• CAS Registry Number: 14155-65-8
• SMILES: [C@]24([C@@]([C@@H](C1=CC(=O)OC1)C[C@H]2O)(CCC5[C@]3(CC[C@@H](C[C@@H]3CCC45)O)C=O)C)O
• 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)19(26)10-18(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: QJKATDKDXQSALV-UFJODQJQSA-N

Properties

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