Antheraxanthin
[CAS# 640-03-9]

Identification

• Name: Antheraxanthin
• Synonyms: (1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohexenyl]-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-4-Ol; (1S,4S,6R)-1-[18-[(4R)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohexenyl]-3,7,12,16-Tetramethyl-Octadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-4-Ol; (1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohexenyl]-3,7,12,16-Tetramethyl-Octadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-4-Ol
• Molecular Formula: C₄₀H₅₆O₃
• Molecular Weight: 584.88
• CAS Registry Number: 640-03-9
• SMILES: [C@]12([C@](C[C@H](CC1(C)C)O)(C)O2)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C3=C(C[C@@H](O)CC3(C)C)C)C)C)C)C
• InChI: 1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
• InChIKey: OFNSUWBAQRCHAV-OYQUVCAXSA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 708.643°C at 760 mmHg (Cal.)
• Flash point: 382.373°C (Cal.)

References

• (1): Andreas Dreuw, Graham R. Fleming and Martin Head-Gordon. Chlorophyll fluorescence quenching by xanthophylls, Phys. Chem. Chem. Phys., 2003, 5, 3247.