10-(3,4-Dihydroxybenzoyl)-3,4,5,6,7,8-Hexahydro-2,2,7,7-Tetramethyl-3alpha,6alpha,8-Tris(3-Methyl-2-Butenyl)-9H-4abeta,8beta-Methano-2H-Cycloocta[b]Pyran-9,11-Dione
[CAS# 52617-33-1]

Identification

• Name: 10-(3,4-Dihydroxybenzoyl)-3,4,5,6,7,8-Hexahydro-2,2,7,7-Tetramethyl-3alpha,6alpha,8-Tris(3-Methyl-2-Butenyl)-9H-4abeta,8beta-Methano-2H-Cycloocta[b]Pyran-9,11-Dione
• Synonyms: 9H-4A,8-Methano-2H-Cycloocta(B)Pyran-9,11-Dione, 10-(3,4-Dihydroxybenzoyl)-3,4,5,6,7,8-Hexahydro-2,2,7,7-Tetramethyl-3,6,8-Tris(3-Methyl-2-Butenyl)-, (3R,4Ar,6R,8S)-; 9H-4A,8-Methano-2H-Cycloocta(B)Pyran-9,11-Dione, 10-(3,4-Dihydroxybenzoyl)-3,4,5,6,7,8-Hexahydro-2,2,7,7-Tetramethyl-3,6,8-Tris(3-Methyl-2-Butenyl)-, (3R-(3Alpha,4Abeta,6Alpha,8Beta))-; Isoxanthochymol
• Molecular Formula: C₃₈H₅₀O₆
• Molecular Weight: 602.81
• CAS Registry Number: 52617-33-1
• SMILES: [C@]14(C(=O)C3(C(=C(C1=O)C(=O)C2=CC=C(O)C(=C2)O)OC(C(C3)CC=C(C)C)(C)C)C[C@H](C4(C)C)CC=C(C)C)CC=C(C)C
• InChI: 1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27?,37?,38+/m1/s1
• InChIKey: KXTNVBQRLRYVCO-FENCOQSXSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 710.2°C at 760 mmHg (Cal.)
• Flash point: 213.379°C (Cal.)