3beta-[(6-Deoxy-alpha-L-Mannopyranosyl)Oxy]-5,11alpha,14-Trihydroxy-5beta-Card-20(22)-Enolide
[CAS# 6869-51-8]

Identification

• Name: 3beta-[(6-Deoxy-alpha-L-Mannopyranosyl)Oxy]-5,11alpha,14-Trihydroxy-5beta-Card-20(22)-Enolide
• Synonyms: 4-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-Trihydroxy-10,13-Dimethyl-3-[(2R,3R,4R,5R,6S)-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]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-Trihydroxy-10,13-Dimethyl-3-[[(2R,3R,4R,5R,6S)-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]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-5,11,14-Trihydroxy-10,13-Dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₂₉H₄₄O₁₀
• Molecular Weight: 552.66
• CAS Registry Number: 6869-51-8
• SMILES: [C@]46([C@H]3[C@@H]([C@@]2([C@](C[C@@H](O[C@H]1[C@@H]([C@@H]([C@@H](O)[C@@H](O1)C)O)O)CC2)(O)CC3)C)[C@H](O)C[C@@]4([C@@H](C5=CC(=O)OC5)CC6)C)O
• InChI: 1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)21-18(5-8-28(26,35)11-16)29(36)9-6-17(15-10-20(31)37-13-15)27(29,3)12-19(21)30/h10,14,16-19,21-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19+,21+,22-,23+,24+,25-,26+,27+,28-,29-/m0/s1
• InChIKey: WRORFDCUNLGVJF-WGLBOFLQSA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 759.781°C at 760 mmHg (Cal.)
• Flash point: 247.186°C (Cal.)