(1S,4S,6R)-1-[18-[(1S,4S,6R)-4-羟基-2,2,6-三甲基-7-氧杂双环[4.1.0]庚烷-1-基]-3,7,12,16-四甲基十八碳-1,3,5,7,9,11,13,15,17-九烯基]-2,2,6-三甲基-7-氧杂双环[4.1.0]庚烷-4-醇
[CAS# 126-29-4]

基本信息

• 产品名称: (1S,4S,6R)-1-[18-[(1S,4S,6R)-4-羟基-2,2,6-三甲基-7-氧杂双环[4.1.0]庚烷-1-基]-3,7,12,16-四甲基十八碳-1,3,5,7,9,11,13,15,17-九烯基]-2,2,6-三甲基-7-氧杂双环[4.1.0]庚烷-4-醇
• 英文名: (1S,4S,6R)-1-[18-[(1S,4S,6R)-4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-1-Yl]-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
• 别名: (1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-1-Yl]-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-[(1S,4S,6R)-4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-1-Yl]-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-[(1S,4S,6R)-4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-1-Yl]-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: C₄₀H₅₆O₄
• 分子量: 600.88
• CAS 登录号: 126-29-4
• 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/[C@@]34[C@](C[C@H](CC3(C)C)O)(C)O4)C)C)C)C
• 国际化学标识码 InChI: 1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1
• 国际化学标识检索码 InChIKey: SZCBXWMUOPQSOX-WVJDLNGLSA-N

物理化学性质

• 密度: 1.1±0.1g/cm³ （计算值）
• 沸点: 705.8±60.0°C at 760 mmHg （计算值）
• 闪点: 380.7±32.9°C （计算值）

参考文献

• (1): Ismayil S. Zulfugarov, Altanzaya Tovuu, Bolormaa Dogsom, Chung Yeol Lee and Choon-Hwan Lee. PsbS-specific zeaxanthin-independent changes in fluorescence emission spectrum as a signature of energy-dependent non-photochemical quenching in higher plants, Photochem. Photobiol. Sci., 2010, 9, 697.