[(1S,3R,4S,4aR,8R,8aR)-8a-(Acetyloxymethyl)-3,4-Dimethyl-5-Oxo-4-[2-(5-Oxo-2H-Furan-3-Yl)Ethyl]Spiro[1,2,3,4a-Tetrahydronaphthalene-8,2'-Oxirane]-1-Yl] Acetate
[CAS# 79495-91-3]

Identification

• Name: [(1S,3R,4S,4aR,8R,8aR)-8a-(Acetyloxymethyl)-3,4-Dimethyl-5-Oxo-4-[2-(5-Oxo-2H-Furan-3-Yl)Ethyl]Spiro[1,2,3,4a-Tetrahydronaphthalene-8,2'-Oxirane]-1-Yl] Acetate
• Synonyms: [(1S,3R,4S,4Ar,8R,8Ar)-8A-(Acetoxymethyl)-3,4-Dimethyl-5-Oxo-4-[2-(5-Oxo-2H-Furan-3-Yl)Ethyl]Spiro[1,2,3,4A-Tetrahydronaphthalene-8,2'-Oxirane]-1-Yl] Acetate; Acetic Acid [(1S,3R,4S,4Ar,8R,8Ar)-8A-(Acetoxymethyl)-3,4-Dimethyl-5-Oxo-4-[2-(5-Oxo-2H-Furan-3-Yl)Ethyl]-1-Spiro[1,2,3,4A-Tetrahydronaphthalene-8,2'-Oxirane]Yl] Ester; Acetic Acid [(1S,3R,4S,4Ar,8R,8Ar)-8A-(Acetoxymethyl)-5-Keto-4-[2-(5-Keto-2H-Furan-3-Yl)Ethyl]-3,4-Dimethyl-Spiro[1,2,3,4A-Tetrahydronaphthalene-8,2'-Oxirane]-1-Yl] Ester
• Molecular Formula: C₂₄H₃₀O₈
• Molecular Weight: 446.50
• CAS Registry Number: 79495-91-3
• SMILES: [C@@]24([C@]1(OC1)C=CC([C@@H]2[C@](CCC3=CC(=O)OC3)(C)[C@@H](C[C@@H]4OC(=O)C)C)=O)COC(=O)C
• InChI: 1S/C24H30O8/c1-14-9-19(32-16(3)26)24(13-30-15(2)25)21(18(27)6-8-23(24)12-31-23)22(14,4)7-5-17-10-20(28)29-11-17/h6,8,10,14,19,21H,5,7,9,11-13H2,1-4H3/t14-,19+,21-,22+,23+,24-/m1/s1
• InChIKey: ZECRFAVEBTUJCF-YNGUIKLFSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 595.947°C at 760 mmHg (Cal.)
• Flash point: 256.366°C (Cal.)