5,14-Dihydroxy-3beta-(3-Methyl-1-Oxobutoxy)-19-Oxo-5beta-Card-20(22)-Enolide
[CAS# 63979-73-7]

Identification

• Name: 5,14-Dihydroxy-3beta-(3-Methyl-1-Oxobutoxy)-19-Oxo-5beta-Card-20(22)-Enolide
• Synonyms: 3-Methylbutanoic 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; 3-Methylbutyric 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] 3-Methylbutanoate
• Molecular Formula: C₂₈H₄₀O₇
• Molecular Weight: 488.62
• CAS Registry Number: 63979-73-7
• SMILES: [C@]34([C@@](O)(C1C([C@@]2([C@](O)(CC1)C[C@@H](OC(=O)CC(C)C)CC2)C=O)CC3)CC[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C28H40O7/c1-17(2)12-24(31)35-19-4-9-26(16-29)21-5-8-25(3)20(18-13-23(30)34-15-18)7-11-28(25,33)22(21)6-10-27(26,32)14-19/h13,16-17,19-22,32-33H,4-12,14-15H2,1-3H3/t19-,20+,21?,22?,25+,26-,27-,28-/m0/s1
• InChIKey: WPPFRCIRFVQANO-PNQBCYOKSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 634.202°C at 760 mmHg (Cal.)
• Flash point: 205.792°C (Cal.)