CAS: 477529-70-7; (1R,3Ar,4A'S,6S,7S,7Ar,7'R,9'R,9A'S)-9'-Hydroxy-3A-Methyl-8'-Methylenedodecahydro-1'H,3H,3'H-Spiro[[1,6]Epoxyisobenzofuran-7,4'-[7,9A]Methanocyclohepta[c]Pyran]-1'-One

• 英文名称(1R,3Ar,4A'S,6S,7S,7Ar,7'R,9'R,9A'S)-9'-Hydroxy-3A-Methyl-8'-Methylenedodecahydro-1'H,3H,3'H-Spiro[[1,6]Epoxyisobenzofuran-7,4'-[7,9A]Methanocyclohepta[c]Pyran]-1'-One
• 中文名称黄花香茶菜素 K
• IUPAC名称(1R,3aR,4a'S,6S,7S,7aR,7'R,9'R,9a'S)-9'-hydroxy-3a-methyl-8'-methylenedodecahydro-1'H,3H,3'H-spiro[[1,6]epoxyisobenzofuran-7,4'-[7,9a]methanocyclohepta[c]pyran]-1'-one
• 其它别名Sculponeatin K; Spiro[1,6-Epoxyisobenzofuran-7(3H),4'(3'H)-[1H-7,9A]Methanocyclohepta[c]Pyran]-1'-One, Dodecahydro-9'-Hydroxy-3A-Methyl-8'-Methylene-, (1R,3Ar,4'S,4'As,6S,7'R,7Ar,9'R,9'As)- (9Ci)
• CAS编号477529-70-7
• MFCD编号:MFCD17214824
• 分子式:C20H26O5分子量:346.42
• 产品CID: 1470768

• 相似结构搜索
• InChIKey: ZNIKODHXEGJBEP-JIHJFMGJSA-N
• InChI=1S/C20H26O5/c1-10-11-3-4-12-19(7-11,15(10)21)17(22)24-9-20(12)13-5-6-18(2)8-23-16(25-13)14(18)20/h11-16,21H,1,3-9H2,2H3/t11-,12-,13+,14-,15-,16-,18+,19+,20-/m1/s1
• 计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数*

物理性质

• 沸点546.9±50.0 °C at 760 mmHg
• 闪点197.7±23.6 °C
• 密度1.3±0.1 g/cm3
• PSA:64.99
• LogP:2.0344
• 折射率1.605

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
  2905399001-1,3-丙二醇
• 💡 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