CAS: 80396-57-2; Methyl (1S,4As,7R,7As)-5'-Oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-4'-((S)-1-(((E)-3-(4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Phenyl)Acryloyl)Oxy)Ethyl)-4A,7A-Dihydro-1H,5'H-Spiro[cyclopenta[c]Pyran-7,2'-Furan]-4-Carboxylate

• 英文名称Methyl (1S,4As,7R,7As)-5'-Oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-4'-((S)-1-(((E)-3-(4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Phenyl)Acryloyl)Oxy)Ethyl)-4A,7A-Dihydro-1H,5'H-Spiro[cyclopenta[c]Pyran-7,2'-Furan]-4-Carboxylate
• 中文名称甲基(1S,4AS,7R,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)-4'-((S)-1-(((E)-3-(4-(((2S,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-基)氧基)苯基)丙烯酰基)氧基)乙基)-4A,7A-二氢-1H,5'H-.[H[C]吡喃-7,2'-呋喃]-4-羧酸甲酯
• IUPAC名称methyl (1S,4aS,7R,7aS)-5'-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4'-((S)-1-(((E)-3-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acryloyl)oxy)ethyl)-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
• 其它别名Protoplumericin A; Protoplumericin; Spiro[cyclopenta[c]Pyran-7(1H),2'(5'H)-Furan]-4-Carboxylic Acid, 1-(β-D-Glucopyranosyloxy)-4'-[(1S)-1-[[(2E)-3-[4-(β-D-Glucopyranosyloxy)Phenyl]-1-Oxo-2-Propen-1-Yl]Oxy]Ethyl]-4A,7A-Dihydro-5'-Oxo-, Methyl Ester, (1S,2'R,4As,7As)-; Methyl(1S,4As,7R,7As)-5'-Oxo-1-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4'-[(1S)-1-[(E)-3-[4-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyphenyl]Prop-2-Enoyl]Oxyethyl]Spiro[4A,7A-Dihydro-1H-Cyclopenta[c]Pyran-7,2'-Furan]-4-Carboxylate
• CAS编号80396-57-2
• MFCD编号:MFCD23103695
• 分子式:C36H42O19分子量:778.71
• 产品CID: 1799260
• 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: AFYIWKNGSIYXCQ-PYQCQGLYSA-N
• InChI=1S/C36H42O19/c1-15(50-23(39)8-5-16-3-6-17(7-4-16)51-34-29(44)27(42)25(40)21(12-37)52-34)19-11-36(55-32(19)47)10-9-18-20(31(46)48-2)14-49-33(24(18)36)54-35-30(45)28(
• 计算化学: 氢键受体数19.0氢键供体数8.0可旋转键数13.0

物理性质

• 沸点1040.3±65.0 °C(预测)
• 闪点322.5°C
• 密度1.62±0.1 g/cm3(预测)
• pKa:12.77±0.70(预测)
• PSA:286.89
• LogP:-2.9359
• 溶解性Water: Soluble
• 外观形态固体
• 储存条件-20°C
• 产品应用该化合物用作研究LPS诱发的抗炎效应.

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
  2902300000-甲苯
  2902500000-苯乙烯
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• 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