3b-[(6-Deoxy-beta-D-Allopyranosyl)Oxy]-5,14-Dihydroxy-19-Oxo-5b-Card-20(22)-Enolide
[CAS# 4336-94-1]

Identification

• Name: 3b-[(6-Deoxy-beta-D-Allopyranosyl)Oxy]-5,14-Dihydroxy-19-Oxo-5b-Card-20(22)-Enolide
• Synonyms: (3S,5S,10S,13R,14S,17R)-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-[(2R,5S)-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; (3S,5S,10S,13R,14S,17R)-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-[[(2R,5S)-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; (3S,5S,10S,13R,14S,17R)-5,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-3-[(2R,5S)-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: C₂₉H₄₂O₁₀
• Molecular Weight: 550.64
• CAS Registry Number: 4336-94-1 (5822-57-1)
• SMILES: [C@]45([C@@](O)(C1C([C@@]3([C@](O)(CC1)C[C@@H](O[C@@H]2OC([C@@H](O)C(O)C2O)C)CC3)C=O)CC4)CC[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15?,17-,18+,19?,20?,22+,23?,24?,25-,26+,27-,28-,29-/m0/s1
• InChIKey: HULMNSIAKWANQO-RMBZBVRKSA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 757.293°C at 760 mmHg (Cal.)
• Flash point: 247.072°C (Cal.)