[(1S,4aR)-8-[2-[(2R,4R)-4-Hydroxy-6-Oxooxan-2-Yl]Ethyl]-7-Methyl-1,2,3,4,4a,7,8,8a-Octahydronaphthalen-1-Yl] (2S)-2-Methylbutanoate
[CAS# 78366-44-6]

Identification

• Name: [(1S,4aR)-8-[2-[(2R,4R)-4-Hydroxy-6-Oxooxan-2-Yl]Ethyl]-7-Methyl-1,2,3,4,4a,7,8,8a-Octahydronaphthalen-1-Yl] (2S)-2-Methylbutanoate
• Synonyms: [(1S,4Ar)-8-[2-[(2R,4R)-4-Hydroxy-6-Oxo-Tetrahydropyran-2-Yl]Ethyl]-7-Methyl-1,2,3,4,4A,7,8,8A-Octahydronaphthalen-1-Yl] (2S)-2-Methylbutanoate; (2S)-2-Methylbutanoic Acid [(1S,4Ar)-8-[2-[(2R,4R)-4-Hydroxy-6-Oxo-2-Tetrahydropyranyl]Ethyl]-7-Methyl-1,2,3,4,4A,7,8,8A-Octahydronaphthalen-1-Yl] Ester; (2S)-2-Methylbutyric Acid [(1S,4Ar)-8-[2-[(2R,4R)-4-Hydroxy-6-Keto-Tetrahydropyran-2-Yl]Ethyl]-7-Methyl-1,2,3,4,4A,7,8,8A-Octahydronaphthalen-1-Yl] Ester
• Molecular Formula: C₂₃H₃₆O₅
• Molecular Weight: 392.53
• CAS Registry Number: 78366-44-6
• SMILES: [C@H]13C(C(C(C=C1)C)CC[C@H]2OC(=O)C[C@H](O)C2)[C@@H](OC(=O)[C@H](CC)C)CCC3
• InChI: 1S/C23H36O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h8-9,14-20,22,24H,4-7,10-13H2,1-3H3/t14-,15?,16+,17+,18+,19?,20-,22?/m0/s1
• InChIKey: VXDSGTRNDFHIJB-QQPOVDNESA-N

Properties

• Density: 1.117g/cm³ (Cal.)
• Boiling point: 529.365°C at 760 mmHg (Cal.)
• Flash point: 175.176°C (Cal.)