2-Methylbutyric Acid 8-[2-(4-Hydroxy-6-Oxotetrahydro-2H-Pyran-2-Yl)Ethyl]-7-Methyl-1,2,3,7,8,8alpha-Hexahydronaphthalen-1-Yl Ester
[CAS 58948-09-7]

Identification

• Name: 2-Methylbutyric Acid 8-[2-(4-Hydroxy-6-Oxotetrahydro-2H-Pyran-2-Yl)Ethyl]-7-Methyl-1,2,3,7,8,8alpha-Hexahydronaphthalen-1-Yl Ester
• Synonyms: [(1S,7S,8S,8Ar)-8-[2-[(2R,4R)-4-Hydroxy-6-Oxo-Tetrahydropyran-2-Yl]Ethyl]-7-Methyl-1,2,3,7,8,8A-Hexahydronaphthalen-1-Yl] (2S)-2-Methylbutanoate; (2S)-2-Methylbutanoic Acid [(1S,7S,8S,8Ar)-8-[2-[(2R,4R)-4-Hydroxy-6-Oxo-2-Tetrahydropyranyl]Ethyl]-7-Methyl-1,2,3,7,8,8A-Hexahydronaphthalen-1-Yl] Ester; (2S)-2-Methylbutyric Acid [(1S,7S,8S,8Ar)-8-[2-[(2R,4R)-4-Hydroxy-6-Keto-Tetrahydropyran-2-Yl]Ethyl]-7-Methyl-1,2,3,7,8,8A-Hexahydronaphthalen-1-Yl] Ester
• Molecular Formula: C₂₃H₃₄O₅
• Molecular Weight: 390.52
• CAS Registry Number: 58948-09-7
• SMILES: [C@@H]23[C@@H](CC[C@@H]1C[C@H](CC(O1)=O)O)[C@H](C=CC2=CCC[C@@H]3OC([C@H](CC)C)=O)C
• InChI: 1S/C23H34O5/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/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
• InChIKey: AJLFOPYRIVGYMJ-INTXDZFKSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 555.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 186.5±23.6°C (Cal.)
• solubility: Soluble to 25 mM in ethanol and to 50 mM in DMSO

References

• (1): Nguyen et al.. Analysis of the eukaryotic prenylome by isoprenoid affinity tagging, Nature Chemical Biology, 2009