4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-羟基-2,6,6-三甲基-1-环己烯基)-3,7,12,16-四甲基十八碳-1,3,5,7,9,11,13,15,17-壬烯基]-3,5,5-三甲基环己-2-烯-1-醇
[CAS# 38327-39-8]

基本信息

• 产品名称: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-羟基-2,6,6-三甲基-1-环己烯基)-3,7,12,16-四甲基十八碳-1,3,5,7,9,11,13,15,17-壬烯基]-3,5,5-三甲基环己-2-烯-1-醇
• 英文名: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-Hydroxy-2,6,6-Trimethyl-1-Cyclohexenyl)-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-3,5,5-Trimethylcyclohex-2-En-1-Ol
• 别名: 4-[18-(4-Hydroxy-2,6,6-Trimethyl-1-Cyclohexenyl)-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-3,5,5-Trimethylcyclohex-2-En-1-Ol; 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-Hydroxy-2,6,6-Trimethyl-1-Cyclohexenyl)-3,7,12,16-Tetramethyl-Octadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-3,5,5-Trimethyl-Cyclohex-2-En-1-Ol; 4-[18-(4-Hydroxy-2,6,6-Trimethyl-1-Cyclohexenyl)-3,7,12,16-Tetramethyl-Octadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-3,5,5-Trimethyl-Cyclohex-2-En-1-Ol
• 分子式: C₄₀H₅₆O₂
• 分子量: 568.88
• CAS 登录号: 38327-39-8
• 分子行输入简码 SMILES: CC1(C(C(=CC(C1)O)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C2=C(CC(CC2(C)C)O)C)C)C)C)C)C
• 国际化学标识码 InChI: 1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
• 国际化学标识检索码 InChIKey: KBPHJBAIARWVSC-DKLMTRRASA-N

物理化学性质

• 密度: 1.005g/cm³ （计算值）
• 沸点: 702.266°C at 760 mmHg （计算值）
• 闪点: 269.068°C （计算值）

参考文献

• (1): Tobias Kind, Martin Scholz, Oliver Fiehn. How Large Is the Metabolome? A Critical Analysis of Data Exchange Practices in Chemistry, PLoS ONE 4(5): e5440