7-(2'-((2''-Methyl-1''-Oxobutoxy)Methyl)-1'-Cyclohexyl)-3-Hydroxy-5-Oxoheptanoic Acid
[CAS# 117678-63-4]

Identification

• Name: 7-(2'-((2''-Methyl-1''-Oxobutoxy)Methyl)-1'-Cyclohexyl)-3-Hydroxy-5-Oxoheptanoic Acid
• Synonyms: (3R)-3-Hydroxy-7-[(1R,2S)-2-[[(2S)-2-Methylbutanoyl]Oxymethyl]Cyclohexyl]-5-Oxo-Heptanoic Acid; (3R)-3-Hydroxy-7-[(1R,2S)-2-[[(2S)-2-Methyl-1-Oxobutoxy]Methyl]Cyclohexyl]-5-Oxoheptanoic Acid; (3R)-3-Hydroxy-5-Keto-7-[(1R,2S)-2-[[(2S)-2-Methylbutanoyl]Oxymethyl]Cyclohexyl]Enanthic Acid
• Molecular Formula: C₁₉H₃₂O₆
• Molecular Weight: 356.46
• CAS Registry Number: 117678-63-4
• SMILES: [C@H]1([C@H](CCCC1)COC([C@H](CC)C)=O)CCC(C[C@H](CC(=O)O)O)=O
• InChI: 1S/C19H32O6/c1-3-13(2)19(24)25-12-15-7-5-4-6-14(15)8-9-16(20)10-17(21)11-18(22)23/h13-15,17,21H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,17+/m0/s1
• InChIKey: AYDQTMUTROEPAE-KLZNWCGWSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 520.21°C at 760 mmHg (Cal.)
• Flash point: 177.45°C (Cal.)