CAS: 99026-99-0; (4As,6Ar,8Ar,8Br,9As,12R,12As,14Ar,14Br)-12-(2-Hydroxy-5-Oxo-2,5-Dihydrofuran-3-yl)-6,6,8A,12A-Tetramethyldecahydro-1H,3H-Oxireno[2,3-D]Pyrano[4',3':3,3A]Isobenzofuro[5,4-F]Isochromene-3,8,10(6H,9Ah)-Trione

• 英文名称(4As,6Ar,8Ar,8Br,9As,12R,12As,14Ar,14Br)-12-(2-Hydroxy-5-Oxo-2,5-Dihydrofuran-3-yl)-6,6,8A,12A-Tetramethyldecahydro-1H,3H-Oxireno[2,3-D]Pyrano[4',3':3,3A]Isobenzofuro[5,4-F]Isochromene-3,8,10(6H,9Ah)-Trione
• 中文名称柠檬酸
• IUPAC名称(4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione
• 其它别名Limonexic Acid; Limonexin; Shihulimonin A; 11H,13H-Oxireno[d]Pyrano[4',3':3,3A]Isobenzofuro[5,4-F][2]Benzopyran-4,6,13(2H,5Ah)-Trione, 8-(2,5-Dihydro-2-Hydroxy-5-Oxo-3-Furanyl)Decahydro-2,2,4A,8A-Tetramethyl-, (2Ar,4Ar,4Br,5As,8R,8As,10Ar,10Br,14As)-; (4As,6Ar,8Ar,8Br,9As,12R,12As,14Ar,14Br)-12-(2-Hydroxy-5-Oxo-2,5- Dihydro-3-Furanyl)-6,6,8A,12A-Tetramethyldecahydro-3H-Oxireno[d]P Yrano[4',3':3,3A][2]Benzofuro[5,4-F]Isochromene-3,8,10(6H,9Ah)-Tr Ione
• CAS编号99026-99-0
• MFCD编号:MFCD17214831
• 分子式:C26H30O10分子量:502.52
• 产品CID: 2028856
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: RTPPVNISJHFPFX-PEVOZZQFSA-N
• InChI=1S/C26H30O10/c1-22(2)13-8-14(27)24(4)12(25(13)10-32-16(28)9-15(25)35-22)5-6-23(3)18(11-7-17(29)33-20(11)30)34-21(31)19-26(23,24)36-19/h7,12-13,15,18-20,30H,5-6,8-10
• 计算化学: 氢键受体数10.0氢键供体数1.0可旋转键数1.0

物理性质

• 沸点783.6±60.0 °C(预测)
• 闪点268.3±26.4 °C
• 密度1.49±0.1 g/cm3(预测)
• pKa:9.67±0.40(预测)
• PSA:137.96
• LogP:0.9733
• 折射率1.621
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

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

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海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
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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
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• ➥ REACH监管