CAS: 28325-56-6; ((1S,4Ar,6S,7R,7As)-6-Acetoxy-4A-Hydroxy-1-((3-Methylbutanoyl)Oxy)-4A,5,6,7A-Tetrahydro-1H-Spiro[cyclopenta[c]Pyran-7,2'-Oxiran]-4-yl)Methyl 3-Methyl-2-((3-Methylbutanoyl)Oxy)Butanoate

• 英文名称((1S,4Ar,6S,7R,7As)-6-Acetoxy-4A-Hydroxy-1-((3-Methylbutanoyl)Oxy)-4A,5,6,7A-Tetrahydro-1H-Spiro[cyclopenta[c]Pyran-7,2'-Oxiran]-4-yl)Methyl 3-Methyl-2-((3-Methylbutanoyl)Oxy)Butanoate
• 中文名称((1S,4AR,6S,7R,7AS)-6-乙酰氧基-4A-羟基-1-((3-甲基丁酰基)氧基)-4A,5,6,7A-四氢-1H-.[H[C]吡喃-7,2'-环氧乙烷]-4-基)甲基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-hydroxy-1-((3-methylbutanoyl)oxy)-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate
• 其它别名Ivhd-Valtrate; Isovaleroxyhydroxydidrovaltratum; Isovaleroxyhydroxydihydrovaltrate; Valtrate Hd; Butanoic Acid, 3-Methyl-2-(3-Methyl-1-Oxobutoxy)-, [(1S,2'R,4Ar,6S,7As)-6-(Acetyloxy)-4A,5,6,7A-Tetrahydro-4A-Hydroxy-1-(3-Methyl-1-Oxobutoxy)Spiro[cyclopenta[c]Pyran-7(1H),2'-Oxiran]-4-Yl]Methyl Ester
• CAS编号28325-56-6
• MFCD编号:MFCD28100656
• 分子式:C27H40O11分子量:540.61
• 产品CID: 1263594
• 产品分类天然产物 → 环烯醚萜衍生物

• 相似结构搜索
• InChIKey: QPMVBTMUWDUUTJ-KZYULCMASA-N
• InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,
• 计算化学: 氢键受体数11.0氢键供体数1.0可旋转键数15.0

物理性质

• 沸点616.5±55.0 °C at 760 mmHg
• 闪点193.9±25.0 °C
• 密度1.24±0.1 g/cm3 (20 ºC 760 Torr),
• PSA:147.19
• LogP:2.4247

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
• 💡 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