CAS: 904891-20-9; ((1S,4Ar,6S,7R,7As)-6-Acetoxy-4A,7-Dihydroxy-4-((((R)-3-Methyl-2-((3-Methylbutanoyl)Oxy)Butanoyl)Oxy)Methyl)-1-((3-Methylbutanoyl)Oxy)-1,4A,5,6,7,7A-Hexahydrocyclopenta[c]Pyran-7-yl)Methyl (R)-3-Methyl-2-((3-Methylbutanoyl)Oxy)Butanoate

• 英文名称((1S,4Ar,6S,7R,7As)-6-Acetoxy-4A,7-Dihydroxy-4-((((R)-3-Methyl-2-((3-Methylbutanoyl)Oxy)Butanoyl)Oxy)Methyl)-1-((3-Methylbutanoyl)Oxy)-1,4A,5,6,7,7A-Hexahydrocyclopenta[c]Pyran-7-yl)Methyl (R)-3-Methyl-2-((3-Methylbutanoyl)Oxy)Butanoate
• 中文名称((1S,4AR,6S,7R,7AS)-6-乙酰氧基-4A,7-二羟基-4-((((R)-3-甲基-2-((3-甲基丁酰基)氧基)丁酰基)氧基)甲基)-1-((3-甲基丁酰基)氧基)-1,4A,5,6,7,7A-吡咯[C]吡喃-7-基)甲基(R)-3-甲基-2-((3-甲基丁酰基)氧基)丁酸甲酯
• IUPAC名称((1S,4aR,6S,7R,7aS)-6-acetoxy-4a,7-dihydroxy-4-((((R)-3-methyl-2-((3-methylbutanoyl)oxy)butanoyl)oxy)methyl)-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl)methyl (R)-3-methyl-2-((3-methylbutanoyl)oxy)butanoate
• 其它别名Valeriotetrate C; Butanoic Acid, 3-Methyl-2-(3-Methyl-1-Oxobutoxy)-, 1,1'-[[(1S,4Ar,6S,7R,7As)-6-(Acetyloxy)-1,4A,5,6,7,7A-Hexahydro-4A,7-Dihydroxy-1-(3-Methyl-1-Oxobutoxy)Cyclopenta[c]Pyran-4,7-Diyl]Bis(Methylene)] Ester, (2R)-
• CAS编号904891-20-9
• MFCD编号:MFCD28385985
• 分子式:C37H58O15分子量:742.86
• 产品CID: 1938074
• 产品分类天然产物 → 环烯醚萜衍生物

• 相似结构搜索
• InChIKey: MEOWJLHAENRYDE-KGISJOMYSA-N
• InChI=1S/C37H58O15/c1-19(2)12-27(39)50-30(22(7)8)33(42)46-16-25-17-47-35(52-29(41)14-21(5)6)32-36(25,44)15-26(49-24(11)38)37(32,45)18-48-34(43)31(23(9)10)51-28(40)13-20(3
• 计算化学: 氢键受体数15.0氢键供体数2.0可旋转键数24.0

物理性质

• 沸点750.0±60.0 °C at 760 mmHg
• 闪点216.3±26.4 °C
• 密度1.2±0.1 g/cm3
• PSA:207.49
• LogP:3.5439

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