花药黄质
[CAS# 640-03-9]

基本信息

• 产品名称: 花药黄质
• 英文名: Antheraxanthin
• 别名: (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
• 分子式: C₄₀H₅₆O₃
• 分子量: 584.88
• CAS 登录号: 640-03-9
• 分子行输入简码 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
• 国际化学标识码 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
• 国际化学标识检索码 InChIKey: OFNSUWBAQRCHAV-OYQUVCAXSA-N

物理化学性质

• 密度: 1.055g/cm³ （计算值）
• 沸点: 708.643°C at 760 mmHg （计算值）
• 闪点: 382.373°C （计算值）

参考文献

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