CAS: 71035-06-8; Dimethyl (1S,4As,7S,7As)-5-Oxo-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-4,7-Dicarboxylate

• 英文名称Dimethyl (1S,4As,7S,7As)-5-Oxo-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-4,7-Dicarboxylate
• 中文名称二甲基(1S,4AS,7S,7AS)-5-氧代-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-4,7-二羧酸酯
• IUPAC名称dimethyl (1S,4aS,7S,7aS)-5-oxo-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-4,7-dicarboxylate
• 其它别名(1S)-1α-(β-D-Glucopyranosyloxy)-1,4Aα,5,6,7,7Aα-Hexahydro-5-Oxocyclopenta[c]Pyran-4,7α-Dicarboxylic Acid Dimethyl Ester; Griselinoside; Griseliside; Cyclopenta[c]Pyran-4,7-Dicarboxylic Acid, 1-(β-D-Glucopyranosyloxy)-1,4A,5,6,7,7A-Hexahydro-5-Oxo-, 4,7-Dimethyl Ester, (1S,4As,7S,7As)-
• CAS编号71035-06-8
• MFCD编号:MFCD20260682
• 分子式:C18H24O12分子量:432.38
• 产品CID: 2532990
• 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: USONHTFDCJKLKO-PHAJAEPKSA-N
• InChI=1S/C18H24O12/c1-26-15(24)6-3-8(20)10-7(16(25)27-2)5-28-17(11(6)10)30-18-14(23)13(22)12(21)9(4-19)29-18/h5-6,9-14,17-19,21-23H,3-4H2,1-2H3/t6-,9+,10-,11+,12+,13-,14+
• 计算化学: 氢键受体数12.0氢键供体数4.0可旋转键数7.0

物理性质

• 沸点647.1±55.0 °C(预测)
• 闪点228.9 °C
• 密度1.55±0.1 g/cm3(预测)
• pKa:12.79±0.70(预测)
• PSA:178.28
• LogP:-2.7895
• 折射率1.591
• 蒸汽压1.77E-19 mmHg at 25 °C

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
  2905310000-1,2-乙二醇
• 💡 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