3beta,14,16beta-Trihydroxy-5-betacard-20(22)-Enolide 16-Acetate
[CAS# 465-15-6]

Identification

• Name: 3beta,14,16beta-Trihydroxy-5-betacard-20(22)-Enolide 16-Acetate
• Synonyms: Acetic Acid [(3S,5R,10S,13R,14S,16S,17R)-3,14-Dihydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester; Acetic Acid [(3S,5R,10S,13R,14S,16S,17R)-3,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester; [(3S,5R,10S,13R,14S,16S,17R)-3,14-Dihydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ethanoate
• Molecular Formula: C₂₅H₃₆O₆
• Molecular Weight: 432.56
• CAS Registry Number: 465-15-6
• EINECS: 207-359-4
• SMILES: [C@]24([C@@]([C@@H](C1=CC(=O)OC1)[C@H](C2)OC(=O)C)(CCC5[C@]3(CC[C@@H](C[C@H]3CCC45)O)C)C)O
• InChI: 1S/C25H36O6/c1-14(26)31-20-12-25(29)19-5-4-16-11-17(27)6-8-23(16,2)18(19)7-9-24(25,3)22(20)15-10-21(28)30-13-15/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18?,19?,20+,22+,23+,24-,25+/m1/s1
• InChIKey: IWCNCUVTGOMGKG-KMESBTIVSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 584.61°C at 760 mmHg (Cal.)
• Flash point: 194.946°C (Cal.)