CAS: 179388-54-6; 2,4,6-Trihydroxy-5-(1-((1S,4R,4Ar,6R,8As)-4-Hydroxy-6-(2-Hydroxypropan-2-yl)-4,8A-Dimethyldecahydronaphthalen-1-yl)-3-Methylbutyl)Isophthalaldehyde

• 英文名称2,4,6-Trihydroxy-5-(1-((1S,4R,4Ar,6R,8As)-4-Hydroxy-6-(2-Hydroxypropan-2-yl)-4,8A-Dimethyldecahydronaphthalen-1-yl)-3-Methylbutyl)Isophthalaldehyde
• 中文名称大果桉醛 I
• IUPAC名称2,4,6-trihydroxy-5-(1-((1S,4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyldecahydronaphthalen-1-yl)-3-methylbutyl)isophthalaldehyde
• 其它别名Macrocarpal I; 1,3-Benzenedicarboxaldehyde, 5-[(1R)-1-[(1S,4R,4Ar,6R,8As)-Decahydro-4-Hydroxy-6-(1-Hydroxy-1-Methylethyl)-4,8A-Dimethyl-1-Naphthalenyl]-3-Methylbutyl]-2,4,6-Trihydroxy-; 5-[1-[(1S,4R,4Ar,6R,8As)-4-Hydroxy-6-(2-Hydroxypropan-2-yl)-4,8A-Dimethyl-1,2,3,4A,5,6,7,8-Octahydronaphthalen-1-Yl]-3-Methylbutyl]-2,4,6-Trihydroxybenzene-1,3-Dicarbaldehyde
• CAS编号179388-54-6
• MFCD编号:MFCD20261070
• 分子式:C28H42O7分子量:490.64
• 产品CID: 922828
• 产品分类天然产物 → 倍半萜

• 相似结构搜索
• 产品信息参考;
• InChIKey: PXQFFMATXFLUPK-FBWULOCESA-N
• InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17 ,20+,
• 计算化学: 氢键受体数7.0氢键供体数5.0可旋转键数7.0

物理性质

• 沸点569.5±50.0 °C at 760 mmHg
• 闪点312.2±26.6 °C
• 密度1.2±0.1 g/cm3
• pKa:5.40±0.50(预测)
• PSA:135.29
• LogP:7.49
• 折射率1.600
• 蒸汽压0.0±1.6 mmHg at 25°C
• 溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
• 外观形态黄色粉末
• 储存条件2-8°C，干燥环境，密闭

MSDS等安全信息

• 危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 危险品标志Xi
• 安全声明H303+H313+H333

合成工艺路线路线简述

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2905122000-异丙醇
  2905143000-叔丁醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管