3beta-[(6-Deoxy-D-Allopyranosyl)Oxy]-14beta-Hydroxy-19-Oxo-5alpha-Card-20(22)-Enolide
[CAS# 26931-65-7]

Identification

• Name: 3beta-[(6-Deoxy-D-Allopyranosyl)Oxy]-14beta-Hydroxy-19-Oxo-5alpha-Card-20(22)-Enolide
• Synonyms: (3S,5S,10R,13R,14S,17R)-14-Hydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-[(2R,5S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde; (3S,5S,10R,13R,14S,17R)-14-Hydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-[[(2R,5S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3S,5S,10R,13R,14S,17R)-14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-3-[(2R,5S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₂₉H₄₂O₉
• Molecular Weight: 534.65
• CAS Registry Number: 26931-65-7
• SMILES: [C@]45([C@@](O)(C1C([C@@]3([C@@H](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/C29H42O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,14-15,17-21,23-26,32-35H,3-10,12-13H2,1-2H3/t15?,17-,18-,19+,20?,21?,23+,24?,25?,26-,27+,28+,29-/m0/s1
• InChIKey: QITDIWRKOXBKAM-CPNWJBISSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 727.096°C at 760 mmHg (Cal.)
• Flash point: 237.142°C (Cal.)