CAS: 252333-71-4; (5Ar,6S,11Ar)-6-(4-Hydroxy-3-Methoxyphenyl)-9-Methoxy-3,3-Dimethyl-1,5,5A,6,11,11A-Hexahydronaphtho[2,3-E][1,3]Dioxepin-8-Ol

• 英文名称(5Ar,6S,11Ar)-6-(4-Hydroxy-3-Methoxyphenyl)-9-Methoxy-3,3-Dimethyl-1,5,5A,6,11,11A-Hexahydronaphtho[2,3-E][1,3]Dioxepin-8-Ol
• 中文名称(5aR,6S,11aR)-1,5,5a,6,11,11a-六氢-6-(4-羟基-3-甲氧基苯基)-9-甲氧基-3,3-二甲基萘并[2,3-e][1,3]二氧杂环庚-8-醇
• IUPAC名称(5aR,6S,11aR)-6-(4-hydroxy-3-methoxyphenyl)-9-methoxy-3,3-dimethyl-1,5,5a,6,11,11a-hexahydronaphtho[2,3-e][1,3]dioxepin-8-ol
• 其它别名9,9'-O-Isopropyllidene-Isolariciresil; 9,9'-O-Isopropyllidene-Isolariciresinol; Isolariciresinol 9,9'-Acetonide; (5Ar,6S,11Ar)-1,5,5A,6,11,11A-Hexahydro-6-(4-Hydroxy-3-Methoxyphenyl)-9-Methoxy-3,3-Dimethylnaphtho[2,3-E][1,3]Dioxepin-8-Ol; Naphtho[2,3-E][1,3]Dioxepin-8-Ol, 1,5,5A,6,11,11A-Hexahydro-6-(4-Hydroxy-3-Methoxyphenyl)-9-Methoxy-3,3-Dimethyl-, (5Ar,6S,11Ar)-; 9'-Acetonide; Isolariciresinol 9; Isolariciresinol 9,9'-Acetonide
• CAS编号252333-71-4
• MFCD编号:MFCD20260443
• 分子式:C23H28O6分子量:400.47
• 产品CID: 1210960
• 产品分类天然产物 → 木脂素

• 相似结构搜索
• InChIKey: SNCSNQKSYHFYSD-YHEJKZAPSA-N
• InChI=1S/C23H28O6/c1-23(2)28-11-15-7-14-9-21(27-4)19(25)10-16(14)22(17(15)12-29-23)13-5-6-18(24)20(8-13)26-3/h5-6,8-10,15,17,22,24-25H,7,11-12H2,1-4H3/t15-,17-,22-/m0/s1
• 计算化学: 氢键受体数6.0氢键供体数2.0可旋转键数3.0

物理性质

• 沸点554.8±50.0 °C(预测)
• 闪点289.3±30.1 °C
• 密度1.193±0.06 g/cm3(预测)
• pKa:10.00±0.35(预测)
• PSA:77.38
• LogP:3.8183
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P264-P270-P271-P280-P301+P312-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501-
• 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
  2905122000-异丙醇
  2905399002-1,4-丁二醇
  2907210001-间苯二酚
• 💡 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