CAS: 1207181-57-4; (1R,2S,3R,4S,4As,8Ar)-4-((S)-1-Acetoxy-2-(4-Hydroxy-5-Oxo-2,5-Dihydrofuran-3-yl)Ethyl)-3-Hydroxy-3,4,8,8A-Tetramethyl-1,2,3,4,4A,5,6,8A-Octahydronaphthalene-1,2-Diyl Dibenzoate

• 英文名称(1R,2S,3R,4S,4As,8Ar)-4-((S)-1-Acetoxy-2-(4-Hydroxy-5-Oxo-2,5-Dihydrofuran-3-yl)Ethyl)-3-Hydroxy-3,4,8,8A-Tetramethyl-1,2,3,4,4A,5,6,8A-Octahydronaphthalene-1,2-Diyl Dibenzoate
• 中文名称(1R,2S,3R,4S,4AS,8AR)-4-((S)-1-乙酰氧基-2-(4-羟基-5-氧代-2,5-二氢呋喃-3-基)乙基)-3-羟基-3,4,8,8A-四甲基-1,2,3,4,4A,5,6,8A-八氢萘-1,2-二基DI苯甲酸甲酯
• IUPAC名称(1R,2S,3R,4S,4aS,8aR)-4-((S)-1-acetoxy-2-(4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-3-hydroxy-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene-1,2-diyl dibenzoate
• 其它别名Scutebata A; 2(5H)-Furanone, 4-[(2S)-2-(Acetyloxy)-2-[(1S,2R,3S,4R,4Ar,8As)-3,4-Bis(Benzoyloxy)-1,2,3,4,4A,7,8,8A-Octahydro-2-Hydroxy-1,2,4A,5-Tetramethyl-1-Naphthalenyl]Ethyl]-3-Hydroxy-
• CAS编号1207181-57-4
• MFCD编号:MFCD20260690
• 分子式:C36H40O10分子量:632.71
• 产品CID: 277270

• 相似结构搜索
• InChIKey: ZXHAGJNJHZQWGU-OZWIMJHESA-N
• InChI=1S/C36H40O10/c1-21-13-12-18-26-34(21,3)29(45-31(39)23-14-8-6-9-15-23)30(46-32(40)24-16-10-7-11-17-24)36(5,42)35(26,4)27(44-22(2)37)19-25-20-43-33(41)28(25)38/h6-11,
• 计算化学: 氢键受体数10.0氢键供体数2.0可旋转键数11.0

物理性质

• 沸点782.5±60.0 °C(预测)
• 闪点243.7±26.4 °C
• 密度1.32±0.1 g/cm3(预测)
• pKa:9.09±0.20(预测)
• PSA:145.66
• LogP:5.2618
• 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

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