2-Hydroxy-2-(1-Hydroxy-2-Methylbutyl)-6-Methylene-9-Oxo-9-(Tetrahydro-6-Methyl-2,4-Dioxo-2H-Pyran-3-Yl)-3-Nonenoic Acid
[CAS# 10088-62-7]

Identification

• Name: 2-Hydroxy-2-(1-Hydroxy-2-Methylbutyl)-6-Methylene-9-Oxo-9-(Tetrahydro-6-Methyl-2,4-Dioxo-2H-Pyran-3-Yl)-3-Nonenoic Acid
• Synonyms: (E,2S)-2-Hydroxy-2-[(1R,2S)-1-Hydroxy-2-Methyl-Butyl]-9-[(6R)-2-Hydroxy-6-Methyl-4-Oxo-5,6-Dihydropyran-3-Yl]-6-Methylene-9-Oxo-Non-3-Enoic Acid; (E,2S)-2-Hydroxy-2-[(1R,2S)-1-Hydroxy-2-Methylbutyl]-9-[(6R)-2-Hydroxy-6-Methyl-4-Oxo-5,6-Dihydropyran-3-Yl]-6-Methylene-9-Oxonon-3-Enoic Acid; (2S,3E)-2-Hydroxy-6-[3-[(6R)-2-Hydroxy-4-Keto-6-Methyl-5,6-Dihydropyran-3-Yl]-3-Keto-Propyl]-2-[(1R,2S)-1-Hydroxy-2-Methyl-Butyl]Hepta-3,6-Dienoic Acid
• Molecular Formula: C₂₁H₃₀O₈
• Molecular Weight: 410.46
• CAS Registry Number: 10088-62-7
• SMILES: [C@@H]([C@@H](O)[C@@](O)(\C=C\CC(CCC(=O)C1=C(O[C@@H](CC1=O)C)O)=C)C(O)=O)(CC)C
• InChI: 1S/C21H30O8/c1-5-13(3)18(24)21(28,20(26)27)10-6-7-12(2)8-9-15(22)17-16(23)11-14(4)29-19(17)25/h6,10,13-14,18,24-25,28H,2,5,7-9,11H2,1,3-4H3,(H,26,27)/b10-6+/t13-,14+,18+,21-/m0/s1
• InChIKey: RGNQZTXMMKLPLT-KBUHGEJUSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 635.605°C at 760 mmHg (Cal.)
• Flash point: 217.742°C (Cal.)