CAS: 97169-44-3; 4A,5-Dihydroxy-7-Methyl-1-((3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4A,5,6,7,7A-Hexahydrocyclopenta[c]Pyran-7-Yl Acetate

• 英文名称4A,5-Dihydroxy-7-Methyl-1-((3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4A,5,6,7,7A-Hexahydrocyclopenta[c]Pyran-7-Yl Acetate
• 中文名称6-表-8-O-乙酰基哈帕甙
• IUPAC名称4a,5-dihydroxy-7-methyl-1-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate
• 其它别名6-Epi-8-O-Acetylharpagide; β-D-Glucopyranoside, (1S,4As,5S,7S,7As)-7-(Acetyloxy)-1,4A,5,6,7,7A-Hexahydro-4A,5-Dihydroxy-7-Methylcyclopenta[c]Pyran-1-Yl
• CAS编号97169-44-3
• MFCD编号:MFCD23103698
• 分子式:C17H26O11分子量:406.38
• 产品CID: 2020284
• 产品分类天然产物 → 环烯醚萜衍生物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: CAFTUQNGDROXEZ-CZEWOCABSA-N
• InChI=1S/C17H26O11/c1-7(19)28-16(2)5-9(20)17(24)3-4-25-15(13(16)17)27-14-12(23)11(22)10(21)8(6-18)26-14/h3-4,8-15,18,20-24H,5-6H2,1-2H3
• 计算化学: 氢键受体数11.0氢键供体数6.0可旋转键数5.0

物理性质

• 沸点607.2±0.0 °C at 760 mmHg
• 闪点215.9±0.0 °C
• 密度1.6±0.0 g/cm3
• pKa:11.88±0.70(预测)
• PSA:175.37
• LogP:-2.96
• 折射率1.624
• 蒸汽压0.0±0.0 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件室温

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
• 安全声明H303+H313+H333

合成工艺路线路线简述

• 35993-19-2 = 97169-44-3 [标题:Reaction Conditions
  标题:Chemistry And Stereochemistry Of Iridoids,V. Crystal And Molecular Structure Of Hexaacetylleonuride - Stereochemical Correlations Of Some Iridoid Glucosides
  作者:Weinges,Klaus; Zourari,Maria; Smuda,Hubert; Rodewald,Hans; Nixdorf,Matthias; Et Al
  参考文献:Liebigs Annalen Der Chemie 日期:1985 卷标:(5) 页码:1063-81

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  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