3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-11,14-dihydroxycard-20(22)-enolide
[CAS# 17489-40-6]

Identification

• Name: 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-11,14-dihydroxycard-20(22)-enolide
• Synonyms: 4-[(3S,5S,8R,9S,10S,11S,13R,17R)-11,14-Dihydroxy-10,13-Dimethyl-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]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5S,8R,9S,10S,11S,13R,17R)-11,14-Dihydroxy-10,13-Dimethyl-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]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5S,8R,9S,10S,11S,13R,17R)-11,14-Dihydroxy-10,13-Dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₂₉H₄₄O₉
• Molecular Weight: 536.66
• CAS Registry Number: 17489-40-6
• SMILES: [C@@H]14[C@H](C2(O)[C@](C[C@@H]1O)([C@H](CC2)C3=CC(OC3)=O)C)CC[C@@H]6[C@@]4(CC[C@H](O[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C)C6)C
• InChI: 1S/C29H44O9/c1-14-23(32)24(33)25(34)26(37-14)38-17-6-8-27(2)16(11-17)4-5-19-22(27)20(30)12-28(3)18(7-9-29(19,28)35)15-10-21(31)36-13-15/h10,14,16-20,22-26,30,32-35H,4-9,11-13H2,1-3H3/t14-,16-,17-,18+,19+,20-,22+,23-,24+,25+,26-,27-,28+,29?/m0/s1
• InChIKey: HFMLTKBZNAPPNY-YKZSPYGYSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 729.806°C at 760 mmHg (Cal.)
• Flash point: 237.346°C (Cal.)