[(1S,4aS,6S,7R,7aS)-6-Hydroxy-7-Methyl-4-(3-Methylbutanoyloxymethyl)-1,4a,5,6,7,7a-Hexahydrocyclopenta[c]Pyran-1-Yl] 3-Methylbutanoate
[CAS# 114687-82-0]

Identification

• Name: [(1S,4aS,6S,7R,7aS)-6-Hydroxy-7-Methyl-4-(3-Methylbutanoyloxymethyl)-1,4a,5,6,7,7a-Hexahydrocyclopenta[c]Pyran-1-Yl] 3-Methylbutanoate
• Synonyms: 3-Methylbutanoic Acid [(1S,4As,6S,7R,7As)-6-Hydroxy-7-Methyl-4-[(3-Methyl-1-Oxobutoxy)Methyl]-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-1-Yl] Ester; 3-Methylbutyric Acid [(1S,4As,6S,7R,7As)-6-Hydroxy-4-(Isovaleryloxymethyl)-7-Methyl-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-1-Yl] Ester; Butanoic Acid, 3-Methyl-, (1,4A,5,6,7,7A-Hexahydro-6-Hydroxy-7-Methyl-1-(3-Methyl-1-Oxobutoxy)Cyclopenta(C)Pyran-4-Yl)Methyl Ester, (1S-(1Alpha,4Aalpha,6Alpha,7Alpha,7Aalpha))-
• Molecular Formula: C₂₀H₃₂O₆
• Molecular Weight: 368.47
• CAS Registry Number: 114687-82-0
• SMILES: [C@@H]12[C@@H](C(=CO[C@H]1OC(=O)CC(C)C)COC(=O)CC(C)C)C[C@H](O)[C@@H]2C
• InChI: 1S/C20H32O6/c1-11(2)6-17(22)24-9-14-10-25-20(26-18(23)7-12(3)4)19-13(5)16(21)8-15(14)19/h10-13,15-16,19-21H,6-9H2,1-5H3/t13-,15+,16-,19+,20-/m0/s1
• InChIKey: XNBHVNRFMHXLMZ-ODLFONTESA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 464.146°C at 760 mmHg (Cal.)
• Flash point: 153.214°C (Cal.)