3beta,5,11alpha,14-Tetrahydroxy-19-Oxo-5beta-Card-20(22)-Enolide
[CAS# 6785-70-2]

Identification

• Name: 3beta,5,11alpha,14-Tetrahydroxy-19-Oxo-5beta-Card-20(22)-Enolide
• Synonyms: (3S,5S,8R,10R,13S,14S)-3,5,11,14-Tetrahydroxy-10-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-13-Carboxaldehyde; (3S,5S,8R,10R,13S,14S)-3,5,11,14-Tetrahydroxy-17-(5-Keto-2H-Furan-3-Yl)-10-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-13-Carbaldehyde; 4-18-00-03414 (Beilstein Handbook Reference)
• Molecular Formula: C₂₃H₃₂O₇
• Molecular Weight: 420.50
• CAS Registry Number: 6785-70-2
• SMILES: [C@@]34(O)[C@H]1C([C@@]2([C@](O)(CC1)C[C@@H](O)CC2)C)C(O)C[C@@]3(C(CC4)C5=CC(OC5)=O)C=O
• InChI: 1S/C23H32O7/c1-20-5-2-14(25)9-22(20,28)6-3-16-19(20)17(26)10-21(12-24)15(4-7-23(16,21)29)13-8-18(27)30-11-13/h8,12,14-17,19,25-26,28-29H,2-7,9-11H2,1H3/t14-,15?,16+,17?,19?,20+,21-,22-,23-/m0/s1
• InChIKey: KKEVCQDNOHUAOZ-QBAFWMPPSA-N

Properties

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