[(1S,3S,7R,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-ethyl-2-methyl-butanoate
[CAS# 79902-60-6]

Identification

• Name: [(1S,3S,7R,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-ethyl-2-methyl-butanoate
• Synonyms: [(1S,3S,7R,8R,8As)-8-[2-[(2R,4R)-4-Hydroxy-6-Oxo-Tetrahydropyran-2-Yl]Ethyl]-3,7-Dimethyl-1,2,3,7,8,8A-Hexahydronaphthalen-1-Yl] 2-Ethyl-2-Methyl-Butanoate; 2-Ethyl-2-Methylbutanoic Acid [(1S,3S,7R,8R,8As)-8-[2-[(2R,4R)-4-Hydroxy-6-Oxo-2-Tetrahydropyranyl]Ethyl]-3,7-Dimethyl-1,2,3,7,8,8A-Hexahydronaphthalen-1-Yl] Ester; 2-Ethyl-2-Methyl-Butyric Acid [(1S,3S,7R,8R,8As)-8-[2-[(2R,4R)-4-Hydroxy-6-Keto-Tetrahydropyran-2-Yl]Ethyl]-3,7-Dimethyl-1,2,3,7,8,8A-Hexahydronaphthalen-1-Yl] Ester
• Molecular Formula: C₂₆H₄₀O₅
• Molecular Weight: 432.60
• CAS Registry Number: 79902-60-6
• SMILES: [C@H]12[C@@H]([C@@H](C=CC1=C[C@H](C[C@@H]2OC(=O)C(CC)(CC)C)C)C)CC[C@H]3OC(=O)C[C@H](O)C3
• InChI: 1S/C26H40O5/c1-6-26(5,7-2)25(29)31-22-13-16(3)12-18-9-8-17(4)21(24(18)22)11-10-20-14-19(27)15-23(28)30-20/h8-9,12,16-17,19-22,24,27H,6-7,10-11,13-15H2,1-5H3/t16-,17-,19-,20-,21-,22+,24-/m1/s1
• InChIKey: OKOKBYYKKPVXFH-TURWMUHSSA-N

Properties

• Density: 1.102g/cm³ (Cal.)
• Boiling point: 575.142°C at 760 mmHg (Cal.)
• Flash point: 186.119°C (Cal.)