CAS: 82508-36-9; (3R,4R,4As,9Ar)-3-((1E,3E)-4-Carboxypenta-1,3-Dien-1-yl)-4A-Hydroxy-3-Methyl-1-Oxo-3,4,4A,5,6,9-Hexahydro-1H-4,9A-Ethanocyclohepta[c]Pyran-7-Carboxylic Acid

• 英文名称(3R,4R,4As,9Ar)-3-((1E,3E)-4-Carboxypenta-1,3-Dien-1-yl)-4A-Hydroxy-3-Methyl-1-Oxo-3,4,4A,5,6,9-Hexahydro-1H-4,9A-Ethanocyclohepta[c]Pyran-7-Carboxylic Acid
• 中文名称去甲氧基去乙酰氧基土槿甲酸 B
• IUPAC名称(3R,4R,4aS,9aR)-3-((1E,3E)-4-carboxypenta-1,3-dien-1-yl)-4a-hydroxy-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylic acid
• 其它别名Demethoxydeacetoxypseudolaric Acid B; Deacetylpseudolaric Acid C2; 1H-4,9A-Ethanocyclohepta[c]Pyran-7-Carboxylic Acid, 3-[(1E,3E)-4-Carboxy-1,3-Pentadien-1-Yl]-3,4,4A,5,6,9-Hexahydro-4A-Hydroxy-3-Methyl-1-Oxo-, (3R,4R,4As,9Ar)-; (3R,4R,4As,9Ar)-3-((1E,3E)-4-Carboxypenta-1,3-Dien-1-yl)-4A-Hydroxy-3-Methyl-1-Oxo-3,4,4A,5,6,9-Hexahydro-1H-4,9A-Ethanocyclohepta[c]Pyran-7-Carboxylic Acid; Inhibit,Demethoxydeacetoxypseudolaric Acid B,Inhibitor,Deacetyldemethylpseudolaric Acid B; Demethylpseudolaric Acid C; Demethoxydeacetoxypseudolaric Acid B, 10 Mm In Dmso
• CAS编号82508-36-9
• MFCD编号:MFCD20260469
• 分子式:C20H24O7分子量:376.4
• 产品CID: 1815772
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: QPFFEVMIQIJTGZ-XYWPTNBISA-N
• InChI=1S/C20H24O7/c1-12(15(21)22)4-3-8-18(2)14-7-10-19(17(25)27-18)9-5-13(16(23)24)6-11-20(14,19)26/h3-5,8,14,26H,6-7,9-11H2,1-2H3,(H,21,22)(H,23,24)/b8-3+,12-4+/t14-,18+
• 计算化学: 氢键受体数7.0氢键供体数3.0可旋转键数4.0

物理性质

• 沸点528.8±50.0 °C at 760 mmHg
• 闪点228.0±30.2 °C
• 密度1.2±0.1 g/cm3
• PSA:121.13
• LogP:4.0
• 折射率1.543
• 蒸汽压0.0±1.4 mmHg at 25°C
• 外观形态白色至类白色固体
• 储存条件2-8°C，干燥环境，密闭

MSDS等安全信息

• 危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation 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

• 82508-31-4 = 82508-36-9 [标题:Reaction Conditions
  标题:Thermodynamic Theory Of Gases On Solid Interface Adsorption Isotherms
  作者:Li,Xueliang; Et Al
  参考文献:Huaxue Tongbao 日期:1995 卷标:(7) 页码:57-61]
  
  82601-41-0 = 82508-36-9 [标题:Reaction Conditions
  标题:Metabolic Pathway And Metabolites Of Total Diterpene Acid Isolated From Pseudolarix Kaempferi
  作者:Liu,Peng; Et Al
  参考文献:Yaoxue Xuebao 日期:2014 卷标:49(8) 页码:1169-1174]
  
  98891-41-9 = 82508-36-9
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol2.1 -
  标题:Thermodynamic Theory Of Gases On Solid Interface Adsorption Isotherms
  作者:Li,Xueliang; Et Al
  参考文献:Huaxue Tongbao 日期:1995 卷标:(7) 页码:57-61

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2901241000-1,3-丁二烯
  2905122000-异丙醇
• 💡 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