3-Methylvaleric Acid 6-Acetyloxy-4A,5,6,7alpha-Tetrahydro-4-[(3-Methyl-1-Oxobutoxy)Methyl]Spiro[Cyclopenta[c]Pyran-7(1H),2'-Oxiran]-1-Yl Ester
[CAS 18361-41-6]

Identification

• Name: 3-Methylvaleric Acid 6-Acetyloxy-4A,5,6,7alpha-Tetrahydro-4-[(3-Methyl-1-Oxobutoxy)Methyl]Spiro[Cyclopenta[c]Pyran-7(1H),2'-Oxiran]-1-Yl Ester
• Synonyms: [(1S,6S)-6-Acetoxy-4-(3-Methylbutanoyloxymethyl)Spiro[4A,5,6,7A-Tetrahydro-1H-Cyclopenta[C]Pyran-7,2'-Oxirane]-1-Yl] 3-Methylpentanoate; 3-Methylpentanoic Acid [(1S,6S)-6-Acetoxy-4-[(3-Methyl-1-Oxobutoxy)Methyl]-1-Spiro[4A,5,6,7A-Tetrahydro-1H-Cyclopenta[C]Pyran-7,2'-Oxirane]Yl] Ester; 3-Methylvaleric Acid [(1S,6S)-6-Acetoxy-4-(Isovaleryloxymethyl)Spiro[4A,5,6,7A-Tetrahydro-1H-Cyclopenta[C]Pyran-7,2'-Oxirane]-1-Yl] Ester
• Molecular Formula: C₂₃H₃₄O₈
• Molecular Weight: 438.52
• CAS Registry Number: 18361-41-6
• SMILES: [C@@H]2(OC(=O)C)C1(OC1)C3C(C2)C(=CO[C@H]3OC(=O)CC(CC)C)COC(=O)CC(C)C
• InChI: 1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3/t14?,17?,18-,21?,22-,23?/m0/s1
• InChIKey: NQYKVDKWBKOHRD-WQWNQLIZSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 519.084°C at 760 mmHg (Cal.)
• Flash point: 221.732°C (Cal.)