3beta,5,14,16beta-Tetrahydroxy-19-Oxo-5beta-card-20(22)-Enolide 16-Acetate
[CAS# 6980-15-0]

Identification

• Name: 3beta,5,14,16beta-Tetrahydroxy-19-Oxo-5beta-card-20(22)-Enolide 16-Acetate
• Synonyms: Acetic Acid [(3S,5S,8R,9S,10S,13R,14S,16S,17R)-10-Formyl-3,5,14-Trihydroxy-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]Phenanthren-16-Yl] Ester; Acetic Acid [(3S,5S,8R,9S,10S,13R,14S,16S,17R)-10-Formyl-3,5,14-Trihydroxy-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]Phenanthren-16-Yl] Ester; [(3S,5S,8R,9S,10S,13R,14S,16S,17R)-3,5,14-Trihydroxy-10-Methanoyl-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]Phenanthren-16-Yl] Ethanoate
• Molecular Formula: C₂₅H₃₄O₈
• Molecular Weight: 462.54
• CAS Registry Number: 6980-15-0
• EINECS: 230-245-0
• SMILES: [C@H]34[C@]1(O)[C@@]([C@H]([C@@H](OC(=O)C)C1)C2=CC(OC2)=O)(CC[C@@H]3[C@@]5([C@](O)(CC4)C[C@@H](O)CC5)C=O)C
• InChI: 1S/C25H34O8/c1-14(27)33-19-11-25(31)18-5-8-24(30)10-16(28)3-7-23(24,13-26)17(18)4-6-22(25,2)21(19)15-9-20(29)32-12-15/h9,13,16-19,21,28,30-31H,3-8,10-12H2,1-2H3/t16-,17-,18+,19-,21-,22+,23-,24-,25-/m0/s1
• InChIKey: DLFGUBFPQASQRQ-VIIDJUSWSA-N

Properties

• Density: 1.372g/cm³ (Cal.)
• Boiling point: 650.982°C at 760 mmHg (Cal.)
• Flash point: 219.29°C (Cal.)