CAS: 81969-41-7; Methyl (1S,4As,7R,7As)-7-Hydroxy-7-(Hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4A,5,6,7,7A-Hexahydrocyclopenta[c]Pyran-4-Carboxylate

• 英文名称Methyl (1S,4As,7R,7As)-7-Hydroxy-7-(Hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4A,5,6,7,7A-Hexahydrocyclopenta[c]Pyran-4-Carboxylate
• 中文名称甲基(1S,4AS,7R,7AS)-7-羟基-7-(羟甲基)-1-(((2S,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-基)氧基)-1,4A,5,6,7,7A-吡咯[C]吡喃-4-羧酸甲酯
• IUPAC名称methyl (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
• 其它别名Dihydro-Monotropein-Methylester; Splendoside; Cyclopenta[c]Pyran-4-Carboxylic Acid, (1S,4As,7R,7As)-1-(β-D-Glucopyranosyloxy)-1,4A,5,6,7,7A-Hexahydro-7-Hydroxy-7-(Hydroxymethyl)-, Methyl Ester (9Ci)
• CAS编号81969-41-7
• MFCD编号:MFCD28100716
• 分子式:C17H26O11分子量:406.38
• 产品CID: 1811562
• 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: BUIDBCJSSFEBDL-DUMNYRKASA-N
• InChI=1S/C17H26O11/c1-25-14(23)8-5-26-15(10-7(8)2-3-17(10,24)6-19)28-16-13(22)12(21)11(20)9(4-18)27-16/h5,7,9-13,15-16,18-22,24H,2-4,6H2,1H3/t7-,9-,10-,11-,12+,13-,15+,16
• 计算化学: 氢键受体数11.0氢键供体数6.0可旋转键数6.0

物理性质

• 沸点656.7±55.0 °C(预测)
• 闪点235.1±25.0 °C
• 密度1.58±0.1 g/cm3(预测)
• pKa:12.80±0.70(预测)
• PSA:175.37
• LogP:-3.0343

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

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