16beta-(Acetyloxy)-14-Hydroxy-3-Oxo-5beta-Card-20(22)-Enolide
[CAS# 51227-49-7]

Identification

• Name: 16beta-(Acetyloxy)-14-Hydroxy-3-Oxo-5beta-Card-20(22)-Enolide
• Synonyms: Acetic Acid [(5R,10S,13R,14S,16S)-14-Hydroxy-10,13-Dimethyl-3-Oxo-17-(5-Oxo-2H-Furan-3-Yl)-2,4,5,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-16-Yl] Ester; Acetic Acid [(5R,10S,13R,14S,16S)-14-Hydroxy-3-Keto-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-16-Yl] Ester; [(5R,10S,13R,14S,16S)-14-Hydroxy-10,13-Dimethyl-3-Oxo-17-(5-Oxo-2H-Furan-3-Yl)-2,4,5,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-16-Yl] Ethanoate
• Molecular Formula: C₂₅H₃₄O₆
• Molecular Weight: 430.54
• CAS Registry Number: 51227-49-7
• SMILES: [C@@]13(O)[C@@](C([C@@H](OC(=O)C)C1)C2=CC(OC2)=O)(CCC4C3CC[C@H]5[C@@]4(CCC(=O)C5)C)C
• InChI: 1S/C25H34O6/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/h10,16,18-20,22,29H,4-9,11-13H2,1-3H3/t16-,18?,19?,20+,22?,23+,24-,25+/m1/s1
• InChIKey: LSJGAOKAEAXKPB-HBONCCPJSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 583.752°C at 760 mmHg (Cal.)
• Flash point: 195.474°C (Cal.)