3beta-[2-(Acetyloxy)-1-Oxopropoxy]-5,14-Dihydroxy-19-Oxo-5beta-Card-20(22)-Enolide
[CAS# 63979-64-6]

Identification

• Name: 3beta-[2-(Acetyloxy)-1-Oxopropoxy]-5,14-Dihydroxy-19-Oxo-5beta-Card-20(22)-Enolide
• Synonyms: [(3S,5S,10S,13R,14S)-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] 2-Acetoxypropanoate; 2-Acetoxypropanoic Acid [(3S,5S,10S,13R,14S)-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-Acetoxypropionic Acid [(3S,5S,10S,13R,14S)-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
• Molecular Formula: C₂₈H₃₈O₉
• Molecular Weight: 518.60
• CAS Registry Number: 63979-64-6
• SMILES: [C@@]13(O)[C@@](C(CC1)C2=CC(OC2)=O)(CCC4[C@@]5([C@](O)(CCC34)C[C@@H](OC(=O)C(OC(=O)C)C)CC5)C=O)C
• InChI: 1S/C28H38O9/c1-16(36-17(2)30)24(32)37-19-4-9-26(15-29)21-5-8-25(3)20(18-12-23(31)35-14-18)7-11-28(25,34)22(21)6-10-27(26,33)13-19/h12,15-16,19-22,33-34H,4-11,13-14H2,1-3H3/t16?,19-,20?,21?,22?,25+,26-,27-,28-/m0/s1
• InChIKey: QBMMODUFPLCLPF-WEEXNRQCSA-N

Properties

• Density: 1.327g/cm³ (Cal.)
• Boiling point: 673.828°C at 760 mmHg (Cal.)
• Flash point: 219.509°C (Cal.)