CAS: 124168-04-3; (1S,4Ar,5R,7S,7As)-7-Hydroxy-7-Methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4A,5,6,7,7A-Hexahydrocyclopenta[c]Pyran-5-Yl 4-Hydroxy-3-Methoxybenzoate

• 英文名称(1S,4Ar,5R,7S,7As)-7-Hydroxy-7-Methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4A,5,6,7,7A-Hexahydrocyclopenta[c]Pyran-5-Yl 4-Hydroxy-3-Methoxybenzoate
• 中文名称6-O-香草酰基筋骨草醇
• IUPAC名称(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate
• 其它别名6-O-Vanilloylajugol; B-D-Glucopyranoside, 1,4A,5,6,7,7A-Hexahydro-7-Hydroxy-5-[(4-Hydroxy-3-Methoxybenzoyl)Oxy ]-7-Methylcyclopenta[c]Pyran-1-Yl, (1S,4Ar,5R,7S,7As)-; β-D-Glucopyranoside, (1S,4Ar,5R,7S,7As)-1,4A,5,6,7,7A-Hexahydro-7-Hydroxy-5-[(4-Hydroxy-3-Methoxybenzoyl)Oxy]-7-Methylcyclopenta[c]Pyran-1-Yl
• CAS编号124168-04-3
• MFCD编号:MFCD20274710
• 分子式:C23H30O12分子量:498.48
• 产品CID: 348968
• 产品分类天然产物 → 环烯醚萜衍生物

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: PJAISAAYEQAVGA-YYFWYDPZSA-N
• InChI=1S/C23H30O12/c1-23(30)8-14(33-20(29)10-3-4-12(25)13(7-10)31-2)11-5-6-32-21(16(11)23)35-22-19(28)18(27)17(26)15(9-24)34-22/h3-7,11,14-19,21-22,24-28,30H,8-9H2,1-2H3/
• 计算化学: 氢键受体数12.0氢键供体数6.0可旋转键数7.0

物理性质

• 沸点742.4±60.0 °C at 760 mmHg
• 闪点253.0±26.4 °C
• 密度1.6±0.1 g/cm3
• PSA:184.6
• LogP:-1.68
• 折射率1.651
• 蒸汽压0.0±2.6 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
• 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