2-[(2E,5E,7E)-10-[(2R,3R,4S,5S,6R)-2-[(E)-But-2-En-2-Yl]-3,4,5-Trihydroxy-6-(Hydroxymethyl)-3,5-Dimethyloxan-2-Yl]Oxy-3-Methyldeca-2,5,7-Trienyl]-5,6-Dimethoxy-3-Methyl-1H-Pyridin-4-One
[CAS# 108073-65-0]

Identification

• Name: 2-[(2E,5E,7E)-10-[(2R,3R,4S,5S,6R)-2-[(E)-But-2-En-2-Yl]-3,4,5-Trihydroxy-6-(Hydroxymethyl)-3,5-Dimethyloxan-2-Yl]Oxy-3-Methyldeca-2,5,7-Trienyl]-5,6-Dimethoxy-3-Methyl-1H-Pyridin-4-One
• Synonyms: 2,3-Dimethoxy-5-Methyl-6-[(2E,5E,7E)-3-Methyl-10-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-2-[(E)-1-Methylprop-1-Enyl]Tetrahydropyran-2-Yl]Oxy-Deca-2,5,7-Trienyl]-1H-Pyridin-4-One; 2,3-Dimethoxy-5-Methyl-6-[(2E,5E,7E)-3-Methyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-2-[(E)-1-Methylprop-1-Enyl]-2-Tetrahydropyranyl]Oxy]Deca-2,5,7-Trienyl]-1H-Pyridin-4-One; 2,3-Dimethoxy-5-Methyl-6-[(2E,5E,7E)-3-Methyl-10-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-3,5-Dimethyl-6-Methylol-2-[(E)-1-Methylprop-1-Enyl]Tetrahydropyran-2-Yl]Oxy-Deca-2,5,7-Trienyl]-4-Pyridone
• Molecular Formula: C₃₁H₄₇NO₉
• Molecular Weight: 577.71
• CAS Registry Number: 108073-65-0
• SMILES: [C@]1(O)([C@@H](O)[C@](O)([C@H](O[C@]1(OCC\C=C\C=C\C\C(=C\CC2=C(C(=O)C(=C(OC)N2)OC)C)C)\C(C)=C\C)CO)C)C
• InChI: 1S/C31H47NO9/c1-9-21(3)31(30(6,37)28(35)29(5,36)24(19-33)41-31)40-18-14-12-10-11-13-15-20(2)16-17-23-22(4)25(34)26(38-7)27(32-23)39-8/h9-13,16,24,28,33,35-37H,14-15,17-19H2,1-8H3,(H,32,34)/b12-10+,13-11+,20-16+,21-9+/t24-,28+,29-,30-,31-/m1/s1
• InChIKey: MCBNRDVDSRLJAF-ZFQBWYSASA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 735.796°C at 760 mmHg (Cal.)
• Flash point: 398.795°C (Cal.)