3beta-[(6-Deoxy-alpha-L-Mannopyranosyl)Oxy]-5,12beta,14-Trihydroxy-19-Oxo-5beta-Card-20(22)-Enolide
[CAS# 639-13-4]

Identification

• Name: 3beta-[(6-Deoxy-alpha-L-Mannopyranosyl)Oxy]-5,12beta,14-Trihydroxy-19-Oxo-5beta-Card-20(22)-Enolide
• Synonyms: 5,12,14-Trihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; 5,12,14-Trihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-[(3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; 5,12,14-Trihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-3-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₂₉H₄₂O₁₁
• Molecular Weight: 566.64
• CAS Registry Number: 639-13-4
• SMILES: CC45C(O)(C1C(C3(C(O)(CC1)CC(OC2OC(C(O)C(O)C2O)C)CC3)C=O)CC4O)CCC5C6=CC(OC6)=O
• InChI: 1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3
• InChIKey: MFIXZHBJWSBQJA-UHFFFAOYSA-N

Properties

• Density: 1.466g/cm³ (Cal.)
• Boiling point: 793.653°C at 760 mmHg (Cal.)
• Flash point: 259.043°C (Cal.)