CAS: 1007387-95-2; Methyl (S)-2-((2R,3As,3A1S,4S,4Ar,4A1S,6As,7S,10Ar,11Ar,12R)-7-(Furan-3-yl)-3A,4A1-Dihydroxy-2,4,6A-Trimethyl-1,9-Dioxotetradecahydro-1H-2,4-Methanoindeno[7,1,2-Bcd]Pyrano[3,4-H]Benzofuran-12-yl)-2-Hydroxyacetate

• 英文名称Methyl (S)-2-((2R,3As,3A1S,4S,4Ar,4A1S,6As,7S,10Ar,11Ar,12R)-7-(Furan-3-yl)-3A,4A1-Dihydroxy-2,4,6A-Trimethyl-1,9-Dioxotetradecahydro-1H-2,4-Methanoindeno[7,1,2-Bcd]Pyrano[3,4-H]Benzofuran-12-yl)-2-Hydroxyacetate
• IUPAC名称methyl (S)-2-((2R,3aS,3a1S,4S,4aR,4a1S,6aS,7S,10aR,11aR,12R)-7-(furan-3-yl)-3a,4a1-dihydroxy-2,4,6a-trimethyl-1,9-dioxotetradecahydro-1H-2,4-methanoindeno[7,1,2-bcd]pyrano[3,4-h]benzofuran-12-yl)-2-hydroxyacetate
• 其它别名1-O-Deacetylkhayalide E; 1-O-Deacetylkhayanolide E; Deacetylkhayanolide E; 8,10-Methano-7H-Pentaleno[1,2,3-Cd]Pyrano[3,4-H]Benzofuran-7-Acetic Acid, 4-(3-Furanyl)Tetradecahydro-α,9A,11B-Trihydroxy-4A,6B,8-Trimethyl-2,12-Dioxo-, Methyl Ester, (αs,4S,4As,6Ar,6Bs,7R,8R,9As,9Bs,10R,11Ar,11Bs)-
• CAS编号1007387-95-2
• MFCD编号:MFCD20274890
• 分子式:C27H32O10分子量:516.54
• 产品CID: 17174

• 相似结构搜索
• InChIKey: HOUJKWFMLMSPNW-DUHTYQCCSA-N
• InChI=1S/C27H32O10/c1-22-11-25(32)18-16(19(22)30)37-26-9-14(28)36-20(12-6-8-35-10-12)23(26,2)7-5-13(27(18,26)33)24(25,3)17(22)15(29)21(31)34-4/h6,8,10,13,15-18,20,29,32-3
• 计算化学: 氢键受体数10.0氢键供体数3.0可旋转键数4.0

物理性质

• 沸点722.7±60.0 °C(预测)
• 闪点390.9±32.9 °C
• 密度1.51±0.1 g/cm3(预测)
• pKa:12.54±0.20(预测)
• PSA:152.73
• LogP:1.0626

MSDS等安全信息

• 危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation 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

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2905399001-1,3-丙二醇
• 💡 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