3-Deoxy-14,15-Dihydro-15-Hydroxy-Caryoptinol
[CAS# 53777-58-5]

Identification

• Name: 3-Deoxy-14,15-Dihydro-15-Hydroxy-Caryoptinol
• Synonyms: [(1R,3S,4R,4Ar,8S,8As)-4-[(2R,3Ar,5R,6As)-5-Hydroxy-2,3,3A,4,5,6A-Hexahydrofuro[5,4-B]Furan-2-Yl]-8A-(Acetoxymethyl)-3,4-Dimethyl-Spiro[Decalin-8,2'-Oxirane]-1-Yl] Acetate; Acetic Acid [(1R,3S,4R,4Ar,8S,8As)-4-[(2R,3Ar,5R,6As)-5-Hydroxy-2,3,3A,4,5,6A-Hexahydrofuro[5,4-B]Furan-2-Yl]-8A-(Acetoxymethyl)-3,4-Dimethyl-1-Spiro[Decalin-8,2'-Oxirane]Yl] Ester; Acetic Acid [(1R,3S,4R,4Ar,8S,8As)-4-[(2R,3Ar,5R,6As)-5-Hydroxy-2,3,3A,4,5,6A-Hexahydrofuro[5,4-B]Furan-2-Yl]-8A-(Acetoxymethyl)-3,4-Dimethyl-Spiro[Decalin-8,2'-Oxirane]-1-Yl] Ester
• Molecular Formula: C₂₄H₃₆O₈
• Molecular Weight: 452.54
• CAS Registry Number: 53777-58-5
• SMILES: [C@]25([C@@]1(OC1)CCC[C@@H]2[C@@]([C@@H]4O[C@H]3O[C@H](C[C@H]3C4)O)(C)[C@H](C[C@H]5OC(=O)C)C)COC(=O)C
• InChI: 1S/C24H36O8/c1-13-8-19(30-15(3)26)24(12-28-14(2)25)17(6-5-7-23(24)11-29-23)22(13,4)18-9-16-10-20(27)32-21(16)31-18/h13,16-21,27H,5-12H2,1-4H3/t13-,16+,17+,18+,19+,20+,21-,22+,23+,24+/m0/s1
• InChIKey: UXXDLTAQAXEQEL-RBQKEQDJSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 546.071°C at 760 mmHg (Cal.)
• Flash point: 179.095°C (Cal.)