5,14-Dihydroxy-19-Oxo-3beta-[(Phenylacetyl)Oxy]-5beta-Card-20(22)-Enolide
[CAS# 63979-71-5]

Identification

• Name: 5,14-Dihydroxy-19-Oxo-3beta-[(Phenylacetyl)Oxy]-5beta-Card-20(22)-Enolide
• Synonyms: 2-Phenylacetic Acid [(3S,5S,10S,13R,14S,17R)-10-Formyl-5,14-Dihydroxy-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-3-Yl] Ester; 2-Phenylacetic Acid [(3S,5S,10S,13R,14S,17R)-10-Formyl-5,14-Dihydroxy-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-3-Yl] Ester; [(3S,5S,10S,13R,14S,17R)-5,14-Dihydroxy-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-3-Yl] 2-Phenylethanoate
• Molecular Formula: C₃₁H₃₈O₇
• Molecular Weight: 522.64
• CAS Registry Number: 63979-71-5
• SMILES: [C@]45([C@@](O)(C1C([C@@]3([C@](O)(CC1)C[C@@H](OC(=O)CC2=CC=CC=C2)CC3)C=O)CC4)CC[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C31H38O7/c1-28-11-8-24-25(31(28,36)14-10-23(28)21-16-26(33)37-18-21)9-13-30(35)17-22(7-12-29(24,30)19-32)38-27(34)15-20-5-3-2-4-6-20/h2-6,16,19,22-25,35-36H,7-15,17-18H2,1H3/t22-,23+,24?,25?,28+,29-,30-,31-/m0/s1
• InChIKey: BKVJSUAKPCZFQK-IXMWINEVSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 690.097°C at 760 mmHg (Cal.)
• Flash point: 223.566°C (Cal.)