19-Oxo-3beta,5,14-Trihydroxy-5beta-Carda-16,20(22)-Dienolide
[CAS# 6980-14-9]

Identification

• Name: 19-Oxo-3beta,5,14-Trihydroxy-5beta-Carda-16,20(22)-Dienolide
• Synonyms: (3S,5S,10S,13R,14S)-3,5,14-Trihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15-Decahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3S,5S,10S,13R,14S)-3,5,14-Trihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15-Decahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; 5-Beta-Carda-16,20(22)-Dienolide, 19-Oxo-3-Beta,5,14-Trihydroxy-
• Molecular Formula: C₂₃H₃₀O₆
• Molecular Weight: 402.49
• CAS Registry Number: 6980-14-9
• SMILES: [C@]24([C@@](C1CC[C@]3([C@@](C1CC2)(CC[C@H](O)C3)C=O)O)(CC=C4C5=CC(=O)OC5)O)C
• InChI: 1S/C23H30O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h5,10,13,15,17-18,25,27-28H,2-4,6-9,11-12H2,1H3/t15-,17?,18?,20+,21-,22-,23-/m0/s1
• InChIKey: HWGUYGUHKLZAGR-JVXUQKQUSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 634.156°C at 760 mmHg (Cal.)
• Flash point: 221.023°C (Cal.)