3beta-[(6-Deoxy-alpha-L-Mannopyranosyl)Oxy]-5,11alpha,14,19-Tetrahydroxy-5beta-Card-20(22)-Enolide
[CAS# 6891-94-7]

Identification

• Name: 3beta-[(6-Deoxy-alpha-L-Mannopyranosyl)Oxy]-5,11alpha,14,19-Tetrahydroxy-5beta-Card-20(22)-Enolide
• Synonyms: 4-[(3S,5S,10R,13R,14S,17R)-5,11,14-Trihydroxy-10-(Hydroxymethyl)-13-Methyl-3-[(2S,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]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5S,10R,13R,14S,17R)-5,11,14-Trihydroxy-10-(Hydroxymethyl)-13-Methyl-3-[[(2S,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]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5S,10R,13R,14S,17R)-5,11,14-Trihydroxy-13-Methyl-10-Methylol-3-[(2S,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]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₂₉H₄₄O₁₁
• Molecular Weight: 568.66
• CAS Registry Number: 6891-94-7
• 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)CO)C(O)C4)CC[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C29H44O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,14,16-19,21-25,30-31,33-37H,3-8,10-13H2,1-2H3/t14?,16-,17+,18?,19?,21?,22+,23?,24?,25+,26+,27-,28-,29-/m0/s1
• InChIKey: BUGNRCRUPAIYMD-RQTNDROZSA-N

Properties

• Density: 1.47g/cm³ (Cal.)
• Boiling point: 801.494°C at 760 mmHg (Cal.)
• Flash point: 261.048°C (Cal.)