CAS: 78479-12-6; (2Ar,4R,4As,6R,9S,11S,12S,12Ar,12Bs)-12B-Acetoxy-4,6,11-Trihydroxy-9-(((2R,3S)-2-Hydroxy-3-((E)-2-Methylbut-2-Enamido)-3-Phenylpropanoyl)Oxy)-4A,8,13,13-Tetramethyl-5-Oxo-2A,3,4,4A,5,6,9,10,11,12,12A,12B-Dodecahydro-1H-7,11-Methanocyclodeca[3,4]Benzo[1,2-B]Oxet-12-Yl Benzoate

• 英文名称(2Ar,4R,4As,6R,9S,11S,12S,12Ar,12Bs)-12B-Acetoxy-4,6,11-Trihydroxy-9-(((2R,3S)-2-Hydroxy-3-((E)-2-Methylbut-2-Enamido)-3-Phenylpropanoyl)Oxy)-4A,8,13,13-Tetramethyl-5-Oxo-2A,3,4,4A,5,6,9,10,11,12,12A,12B-Dodecahydro-1H-7,11-Methanocyclodeca[3,4]Benzo[1,2-B]Oxet-12-Yl Benzoate
• 中文名称7-表-10-去乙酰基三尖杉宁碱
• IUPAC名称(2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,6,11-trihydroxy-9-(((2R,3S)-2-hydroxy-3-((E)-2-methylbut-2-enamido)-3-phenylpropanoyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
• 其它别名7-Epi-10-Deacetyl Cephalomannine; Benzenepropanoic Acid, α-Hydroxy-β-[[(2E)-2-Methyl-1-Oxo-2-Buten-1-Yl]Amino]-, (2Ar,4R,4As,6R,9S,11S,12S,12Ar,12Bs)-12B-(Acetyloxy)-12-(Benzoyloxy)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-Dodecahydro-4,6,11-Trihydroxy-4A,8,13,13-Tetramethyl-5-Oxo-7,11-Methano-1H-Cyclodeca[3,4]Benz[1,2-B]Oxet-9-Yl Ester, (α...
• CAS编号78479-12-6
• 分子式:C43H51NO13分子量:789.88
• 产品CID: 1779606
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: ADDGUHVEJPNWQZ-WLNUZSSLSA-N
• InChI=1S/C43H51NO13/c1-8-22(2)37(50)44-31(25-15-11-9-12-16-25)33(48)39(52)55-27-20-43(53)36(56-38(51)26-17-13-10-14-18-26)34-41(7,35(49)32(47)30(23(27)3)40(43,5)6)28(46)1
• 计算化学: 氢键受体数13.0氢键供体数5.0可旋转键数12.0

物理性质

• 沸点930.8±65.0 °C(预测)
• 闪点516.7±34.3 °C
• 密度1.37±0.1 g/cm3(预测)
• pKa:11.31±0.70(预测)
• LogP:1.5

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

上下游产品

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902600000-乙苯
  2905122000-异丙醇
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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
• ➥ Globally Harmonized System
• ➥ REACH监管