Flavoxanthin
[CAS# 512-29-8]

Identification

• Name: Flavoxanthin
• Synonyms: (2R,6S,7Ar)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(1R,4R)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohex-2-Enyl]-1,5,10,14-Tetramethyl-Hexadeca-1,3,5,7,9,11,13,15-Octaenyl]-4,4,7A-Trimethyl-2,5,6,7-Tetrahydrobenzofuran-6-Ol; (2R,6S,7Ar)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(1R,4R)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohex-2-Enyl]-1,5,10,14-Tetramethylhexadeca-1,3,5,7,9,11,13,15-Octaenyl]-4,4,7A-Trimethyl-2,5,6,7-Tetrahydrobenzofuran-6-Ol; (2R,6S,7Ar)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4R)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohex-2-Enyl]-6,11,15-Trimethyl-Heptadeca-2,4,6,8,10,12,14,16-Octaen-2-Yl]-4,4,7A-Trimethyl-2,5,6,7-Tetrahydro-1-Benzofuran-6-Ol
• Molecular Formula: C₄₀H₅₆O₃
• Molecular Weight: 584.88
• CAS Registry Number: 512-29-8
• SMILES: [C@]13(C(=C[C@@H](O1)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@H]2C(=C[C@H](O)CC2(C)C)C)C)C)C)C)C(C)(C)C[C@@H](C3)O)C
• InChI: 1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-24,33-36,41-42H,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34-,35-,36+,40+/m0/s1
• InChIKey: JRHJXXLCNATYLS-NGZWBNMCSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 706.8±60.0°C at 760 mmHg (Cal.)
• Flash point: 381.3±32.9°C (Cal.)