[(1R,4R,4aS,8aS)-3,4a,8,8-Tetramethyl-7-Oxo-4-[(2-Oxochromen-7-Yl)Oxymethyl]-4,5,6,8alpha-Tetrahydro-1H-Naphthalen-1-Yl] Acetate
[CAS# 54927-86-5]

Identification

• Name: [(1R,4R,4aS,8aS)-3,4a,8,8-Tetramethyl-7-Oxo-4-[(2-Oxochromen-7-Yl)Oxymethyl]-4,5,6,8alpha-Tetrahydro-1H-Naphthalen-1-Yl] Acetate
• Synonyms: Acetic Acid [(1R,4R,4As,8As)-3,4A,8,8-Tetramethyl-7-Oxo-4-[(2-Oxo-7-Chromenyl)Oxymethyl]-4,5,6,8A-Tetrahydro-1H-Naphthalen-1-Yl] Ester; Acetic Acid [(1R,4R,4As,8As)-7-Keto-4-[(2-Ketochromen-7-Yl)Oxymethyl]-3,4A,8,8-Tetramethyl-4,5,6,8A-Tetrahydro-1H-Naphthalen-1-Yl] Ester; [(1R,4R,4As,8As)-3,4A,8,8-Tetramethyl-7-Oxo-4-[(2-Oxochromen-7-Yl)Oxymethyl]-4,5,6,8A-Tetrahydro-1H-Naphthalen-1-Yl] Ethanoate
• Molecular Formula: C₂₆H₃₀O₆
• Molecular Weight: 438.52
• CAS Registry Number: 54927-86-5
• SMILES: [C@@H]3(COC2=CC=C1C=CC(OC1=C2)=O)C(=C[C@H]([C@@H]4C(C(CC[C@@]34C)=O)(C)C)OC(=O)C)C
• InChI: 1S/C26H30O6/c1-15-12-21(31-16(2)27)24-25(3,4)22(28)10-11-26(24,5)19(15)14-30-18-8-6-17-7-9-23(29)32-20(17)13-18/h6-9,12-13,19,21,24H,10-11,14H2,1-5H3/t19-,21-,24-,26+/m1/s1
• InChIKey: MMKKYADEWAIUBF-UNMCOINBSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 571.663°C at 760 mmHg (Cal.)
• Flash point: 245.038°C (Cal.)