3beta-[(6-Deoxy-alpha-L-Mannopyranosyl)Oxy]-14-Hydroxy-19-Oxo-5alpha-Card-20(22)-Enolide
[CAS# 58917-39-8]

Identification

• Name: 3beta-[(6-Deoxy-alpha-L-Mannopyranosyl)Oxy]-14-Hydroxy-19-Oxo-5alpha-Card-20(22)-Enolide
• Synonyms: (3S,5S,8R,9S,10R,13R,17R)-14-Hydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-[(2R,3R,4R,5R,6S)-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,8R,9S,10R,13R,17R)-14-Hydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-[[(2R,3R,4R,5R,6S)-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,8R,9S,10R,13R,17R)-14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-3-[(2R,3R,4R,5R,6S)-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: 58917-39-8
• SMILES: [C@H]14[C@@H]([C@@]3([C@@H](CC1)C[C@@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)CC3)C=O)CC[C@]5(C4(O)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-NRGHVDRHSA-N

Properties

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