3-[(6S)-6-[(E,4S,6R)-4,6-Dimethyloct-2-En-2-Yl]-5-Methyl-3,6-Dihydro-2H-Pyran-2-Yl]-2-Hydroxy-1-Methyl-5-[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxycyclopentyl]Pyridin-4-One
[CAS# 11055-06-4]

Identification

• Name: 3-[(6S)-6-[(E,4S,6R)-4,6-Dimethyloct-2-En-2-Yl]-5-Methyl-3,6-Dihydro-2H-Pyran-2-Yl]-2-Hydroxy-1-Methyl-5-[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxycyclopentyl]Pyridin-4-One
• Synonyms: 2-Hydroxy-1-Methyl-3-[(6S)-5-Methyl-6-[(E,3S,5R)-1,3,5-Trimethylhept-1-Enyl]-3,6-Dihydro-2H-Pyran-2-Yl]-5-[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxycyclopentyl]Pyridin-4-One; 2-Hydroxy-1-Methyl-3-[(6S)-5-Methyl-6-[(E,3S,5R)-1,3,5-Trimethylhept-1-Enyl]-3,6-Dihydro-2H-Pyran-2-Yl]-5-[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxycyclopentyl]-4-Pyridinone; 2-Hydroxy-1-Methyl-3-[(6S)-5-Methyl-6-[(E,3S,5R)-1,3,5-Trimethylhept-1-Enyl]-3,6-Dihydro-2H-Pyran-2-Yl]-5-[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxycyclopentyl]-4-Pyridone
• Molecular Formula: C₂₇H₄₁NO₇
• Molecular Weight: 491.62
• CAS Registry Number: 11055-06-4
• SMILES: [C@@H]1(O)C([C@@H](O)[C@H](O)[C@@H]1O)C2=CN(C(=C(C2=O)C3O[C@@H](C(=CC3)C)\C(=C\[C@H](C[C@@H](CC)C)C)C)O)C
• InChI: 1S/C27H41NO7/c1-7-13(2)10-14(3)11-16(5)26-15(4)8-9-18(35-26)20-21(29)17(12-28(6)27(20)34)19-22(30)24(32)25(33)23(19)31/h8,11-14,18-19,22-26,30-34H,7,9-10H2,1-6H3/b16-11+/t13-,14+,18?,19?,22-,23-,24-,25+,26+/m1/s1
• InChIKey: SKVFJTDOWKIXSZ-ZPXUAEPASA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 622.961°C at 760 mmHg (Cal.)
• Flash point: 330.555°C (Cal.)