2-[(1E,5E,7E,11E)-3-Hydroxy-3,7,9,11-Tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxytrideca-1,5,7,11-Tetraenyl]-5,6-Dimethoxy-3-Methyl-1H-Pyridin-4-One
[CAS# 125535-05-9]

Identification

• Name: 2-[(1E,5E,7E,11E)-3-Hydroxy-3,7,9,11-Tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxytrideca-1,5,7,11-Tetraenyl]-5,6-Dimethoxy-3-Methyl-1H-Pyridin-4-One
• Synonyms: 2-[(1E,5E,7E,11E)-3-Hydroxy-3,7,9,11-Tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Trideca-1,5,7,11-Tetraenyl]-5,6-Dimethoxy-3-Methyl-1H-Pyridin-4-One; 2-[(1E,5E,7E,11E)-3-Hydroxy-3,7,9,11-Tetramethyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Trideca-1,5,7,11-Tetraenyl]-5,6-Dimethoxy-3-Methyl-1H-Pyridin-4-One; 2-[(1E,5E,7E,11E)-3-Hydroxy-3,7,9,11-Tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Trideca-1,5,7,11-Tetraenyl]-5,6-Dimethoxy-3-Methyl-4-Pyridone
• Molecular Formula: C₃₁H₄₇NO₁₀
• Molecular Weight: 593.71
• CAS Registry Number: 125535-05-9 (125591-38-0)
• SMILES: [C@H]2(O)[C@H](O)[C@H](O[C@@H](OC(C(C)\C=C(\C=C\CC(O)(C)\C=C\C1=C(C(=O)C(=C(OC)N1)OC)C)C)C(/C)=C/C)[C@@H]2O)CO
• InChI: 1S/C31H47NO10/c1-9-18(3)27(42-30-26(37)25(36)24(35)22(16-33)41-30)19(4)15-17(2)11-10-13-31(6,38)14-12-21-20(5)23(34)28(39-7)29(32-21)40-8/h9-12,14-15,19,22,24-27,30,33,35-38H,13,16H2,1-8H3,(H,32,34)/b11-10+,14-12+,17-15+,18-9+/t19?,22-,24-,25+,26-,27?,30+,31?/m1/s1
• InChIKey: FXKCPQKAYSQRGI-GDXSFRBMSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 834.065°C at 760 mmHg (Cal.)
• Flash point: 458.226°C (Cal.)