(3beta)-14-Hydroxy-19-oxo-3-(beta-D-xylopyranosyloxy)card-20(22)-enolide
[CAS# 14614-16-5]

Identification

• Name: (3beta)-14-Hydroxy-19-oxo-3-(beta-D-xylopyranosyloxy)card-20(22)-enolide
• Synonyms: 14-Hydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-(3,4,5-Trihydroxytetrahydropyran-2-Yl)Oxy-1,2,3,6,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde; 14-Hydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-[(3,4,5-Trihydroxy-2-Tetrahydropyranyl)Oxy]-1,2,3,6,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carboxaldehyde; 14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-3-(3,4,5-Trihydroxytetrahydropyran-2-Yl)Oxy-1,2,3,6,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₂₈H₃₈O₉
• Molecular Weight: 518.60
• CAS Registry Number: 14614-16-5
• SMILES: CC45C(C3C(C2(C(=CC(OC1C(C(C(O)CO1)O)O)CC2)CC3)C=O)CC4)(CCC5C6=CC(=O)OC6)O
• InChI: 1S/C28H38O9/c1-26-7-5-19-20(28(26,34)9-6-18(26)15-10-22(31)35-12-15)3-2-16-11-17(4-8-27(16,19)14-29)37-25-24(33)23(32)21(30)13-36-25/h10-11,14,17-21,23-25,30,32-34H,2-9,12-13H2,1H3
• InChIKey: ZQVQSPBMCILIHV-UHFFFAOYSA-N

Properties

• Density: 1.411g/cm³ (Cal.)
• Boiling point: 745.503°C at 760 mmHg (Cal.)
• Flash point: 247.303°C (Cal.)