CAS: 61117-89-3; (2S,3R)-3-Hydroxy-2-(Hydroxymethyl)-2,5,7-Trimethyl-6-(2-(((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Ethyl)-2,3-Dihydro-1H-Inden-1-One

• 英文名称(2S,3R)-3-Hydroxy-2-(Hydroxymethyl)-2,5,7-Trimethyl-6-(2-(((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Ethyl)-2,3-Dihydro-1H-Inden-1-One
• 中文名称表蕨素 L 2'-O-葡萄糖甙
• IUPAC名称(2S,3R)-3-hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-6-(2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)-2,3-dihydro-1H-inden-1-one
• 其它别名Epipterosin L 2'-O-Glucoside; (2S,3R)-Pterosin L 2'-O-Beta-D-Glucoside; 1H-Inden-1-One, 6-[2-(β-D-Glucopyranosyloxy)Ethyl]-2,3-Dihydro-3-Hydroxy-2-(Hydroxymethyl)-2,5,7-Trimethyl-, (2S,3R)-; 2S3R-Pterosinl2'-O-β-D-Glucoside/epipterosinl2'-O-Glucoside
• CAS编号61117-89-3
• MFCD编号:MFCD22417268
• 分子式:C21H30O9分子量:426.46
• 产品CID: 1592392
• 产品分类天然产物 → 倍半萜

• 相似结构搜索
• InChIKey: VAENVHFVXODVEC-VXARULQCSA-N
• InChI=1S/C21H30O9/c1-9-6-12-14(19(28)21(3,8-23)18(12)27)10(2)11(9)4-5-29-20-17(26)16(25)15(24)13(7-22)30-20/h6,13,15-18,20,22-27H,4-5,7-8H2,1-3H3/t13-,15-,16+,17-,18-,20-
• 计算化学: 氢键受体数9.0氢键供体数6.0可旋转键数6.0

物理性质

• 沸点704.8±60.0 °C at 760 mmHg
• 闪点245.4±26.4 °C
• 密度1.5±0.1 g/cm3
• pKa:12.93±0.70(预测)
• PSA:156.91
• LogP:-0.88
• 折射率1.633
• 蒸汽压0.0±2.4 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件室温

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
• 危险品标志Xi
• 安全声明H303+H313+H333

合成工艺路线路线简述

海关参考信息

• 2902600000-乙苯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-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