Xanthochymol
[CAS# 52617-32-0]

Identification

• Name: Xanthochymol
• Synonyms: (1S,3Z,5R,7S)-3-[(3,4-Dihydroxyphenyl)-Hydroxy-Methylene]-5-[(2R)-2-Isopropenyl-5-Methyl-Hex-5-Enyl]-8,8-Dimethyl-1,7-Bis(3-Methylbut-2-Enyl)Bicyclo[3.3.1]Nonane-2,4,9-Trione; (1S,3Z,5R,7S)-3-[(3,4-Dihydroxyphenyl)-Hydroxymethylene]-5-[(2R)-2-Isopropenyl-5-Methylhex-5-Enyl]-8,8-Dimethyl-1,7-Bis(3-Methylbut-2-Enyl)Bicyclo[3.3.1]Nonane-2,4,9-Trione; (1S,3Z,5R,7S)-3-[(3,4-Dihydroxyphenyl)-Hydroxy-Methylidene]-8,8-Dimethyl-1,7-Bis(3-Methylbut-2-Enyl)-5-[(2R)-5-Methyl-2-Prop-1-En-2-Yl-Hex-5-Enyl]Bicyclo[3.3.1]Nonane-2,4,9-Trione
• Molecular Formula: C₃₈H₅₀O₆
• Molecular Weight: 602.81
• CAS Registry Number: 52617-32-0
• SMILES: [C@@]12(C([C@H](C[C@@](C1=O)(C[C@@H](CCC(C)=C)C(C)=C)C(=O)C(/C2=O)=C(O)\C3=CC(=C(O)C=C3)O)CC=C(C)C)(C)C)CC=C(C)C
• InChI: 1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h12,14,16-17,19,27-28,39-41H,1,7,11,13,15,18,20-21H2,2-6,8-10H3/b32-31-/t27-,28+,37+,38-/m1/s1
• InChIKey: TZZQZCIACNYHBG-NDVZVQCQSA-N

Properties

• Density: 1.107g/cm³ (Cal.)
• Boiling point: 712.503°C at 760 mmHg (Cal.)
• Flash point: 398.661°C (Cal.)