CAS: 73904-93-5; (4As,6Ar,8Ar,8Br,9As,12R,12As,14Ar,14Br)-12-(5-Hydroxy-2-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-(5-Hydroxy-2-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
• IUPAC名称(4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(5-hydroxy-2-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Isolimonexic Acid; Limonexylic Acid; Rutaevinexic Acid; (17R,23Xi)-1Alpha,4; 14,15Beta-Diepoxy-17,19,23,23-Tetrahydroxy-4,4,8-Trimethyl-7-Oxo-3,4; 16,17-Diseco-24-Nor-5Alpha,13Alpha,14Beta-Chol-20(22)-En-3,16,21-Trisaeure-3=>19; Isolimonexin; 21=>23-Trilacton
• CAS编号73904-93-5
• MFCD编号:MFCD17214831
• 分子式:C26H30O10分子量:502.52
• 产品CID: 1727166
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: DNNFETMOXYZICP-OKRPZFHJSA-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/h7,12-13,15,17-19,29H,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

• 熔点315-316°C
• 沸点788.3±60.0 °C(预测)
• 密度1.49±0.1 g/cm3(预测)
• pKa:9.79±0.40(预测)
• PSA:137.96
• LogP:0.9733

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