[(1R,3S,5S)-3-[(1R)-2-(2,6-Dioxopiperidin-4-Yl)-1-Hydroxyethyl]-1,5-Dimethyl-4-Oxocyclohexyl] Acetate
[CAS# 3326-96-3]

Identification

• Name: [(1R,3S,5S)-3-[(1R)-2-(2,6-Dioxopiperidin-4-Yl)-1-Hydroxyethyl]-1,5-Dimethyl-4-Oxocyclohexyl] Acetate
• Synonyms: [(1R,3S,5S)-3-[(1R)-2-(2,6-Dioxo-4-Piperidyl)-1-Hydroxy-Ethyl]-1,5-Dimethyl-4-Oxo-Cyclohexyl] Acetate; Acetic Acid [(1R,3S,5S)-3-[(1R)-2-(2,6-Dioxo-4-Piperidinyl)-1-Hydroxyethyl]-1,5-Dimethyl-4-Oxocyclohexyl] Ester; Acetic Acid [(1R,3S,5S)-3-[(1R)-2-(2,6-Diketo-4-Piperidyl)-1-Hydroxy-Ethyl]-4-Keto-1,5-Dimethyl-Cyclohexyl] Ester
• Molecular Formula: C₁₇H₂₅NO₆
• Molecular Weight: 339.39
• CAS Registry Number: 3326-96-3
• SMILES: [C@@H]1(C([C@H](C[C@](C1)(OC(=O)C)C)C)=O)[C@@H](CC2CC(NC(=O)C2)=O)O
• InChI: 1S/C17H25NO6/c1-9-7-17(3,24-10(2)19)8-12(16(9)23)13(20)4-11-5-14(21)18-15(22)6-11/h9,11-13,20H,4-8H2,1-3H3,(H,18,21,22)/t9-,12-,13+,17+/m0/s1
• InChIKey: UFDHNJJHPSGMFX-SQUSCZTCSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 529.399°C at 760 mmHg (Cal.)
• Flash point: 273.971°C (Cal.)