3beta,5,12beta,14-Tetrahydroxy-19-Oxo-5beta-Card-20(22)-Enolide
[CAS# 749-72-4]

Identification

• Name: 3beta,5,12beta,14-Tetrahydroxy-19-Oxo-5beta-Card-20(22)-Enolide
• Synonyms: (3S,5S,10S,12R,13S,14S,17R)-3,5,12,14-Tetrahydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3S,5S,10S,12R,13S,14S,17R)-3,5,12,14-Tetrahydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; 3-Beta,5,12-Beta,14-Tetrahydroxy-19-Oxo-5-Beta-Card-20(22)-Enolide
• Molecular Formula: C₂₃H₃₂O₇
• Molecular Weight: 420.50
• CAS Registry Number: 749-72-4
• SMILES: [C@]34([C@@](O)(C1C([C@@]2([C@](O)(CC1)C[C@@H](O)CC2)C=O)C[C@H]3O)CC[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C23H32O7/c1-20-15(13-8-19(27)30-11-13)4-7-23(20,29)16-3-6-22(28)10-14(25)2-5-21(22,12-24)17(16)9-18(20)26/h8,12,14-18,25-26,28-29H,2-7,9-11H2,1H3/t14-,15+,16?,17?,18+,20-,21-,22-,23-/m0/s1
• InChIKey: FMCCZSFBYFYVDN-MBDBEIGXSA-N

Properties

• Density: 1.505g/cm³ (Cal.)
• Boiling point: 662.542°C at 760 mmHg (Cal.)
• Flash point: 229.749°C (Cal.)