[(1S,3S,4aR,7S,8S,8aR)-8-[2-[(2R,4R)-4-Hydroxy-6-Oxooxan-2-Yl]Ethyl]-3,7-Dimethyl-1,2,3,4,4a,7,8,8a-Octahydronaphthalen-1-Yl] (2S)-2-Methylbutanoate
[CAS# 77517-29-4]

Identification

• Classification: Analytical chemistry >> Standard >> Pharmacopoeia standards and magazine standards
• Name: [(1S,3S,4aR,7S,8S,8aR)-8-[2-[(2R,4R)-4-Hydroxy-6-Oxooxan-2-Yl]Ethyl]-3,7-Dimethyl-1,2,3,4,4a,7,8,8a-Octahydronaphthalen-1-Yl] (2S)-2-Methylbutanoate
• Synonyms: [(1S,3S,4Ar,7S,8S,8Ar)-8-[2-[(2R,4R)-4-Hydroxy-6-Oxo-Tetrahydropyran-2-Yl]Ethyl]-3,7-Dimethyl-1,2,3,4,4A,7,8,8A-Octahydronaphthalen-1-Yl] (2S)-2-Methylbutanoate; (2S)-2-Methylbutanoic Acid [(1S,3S,4Ar,7S,8S,8Ar)-8-[2-[(2R,4R)-4-Hydroxy-6-Oxo-2-Tetrahydropyranyl]Ethyl]-3,7-Dimethyl-1,2,3,4,4A,7,8,8A-Octahydronaphthalen-1-Yl] Ester; (2S)-2-Methylbutyric Acid [(1S,3S,4Ar,7S,8S,8Ar)-8-[2-[(2R,4R)-4-Hydroxy-6-Keto-Tetrahydropyran-2-Yl]Ethyl]-3,7-Dimethyl-1,2,3,4,4A,7,8,8A-Octahydronaphthalen-1-Yl] Ester
• Molecular Formula: C₂₄H₃₈O₅
• Molecular Weight: 406.56
• CAS Registry Number: 77517-29-4
• SMILES: [C@@H](C(=O)O[C@H]1C[C@H](C[C@@H]2C=C[C@@H]([C@@H]([C@H]12)CC[C@@H]3C[C@H](CC(O3)=O)O)C)C)(CC)C
• InChI: 1S/C24H38O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,14-21,23,25H,5,8-13H2,1-4H3/t14-,15-,16-,17-,18+,19+,20-,21-,23+/m0/s1
• InChIKey: IFIFFBWHLKGTMO-LDIGTXGYSA-N

Properties

• Density: 1.105g/cm³ (Cal.)
• Boiling point: 534.776°C at 760 mmHg (Cal.)
• Flash point: 174.533°C (Cal.)