CAS: 39012-04-9; 5-Hydroxy-2-(4-Hydroxyphenyl)-8-(3-Methylbut-2-En-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-3-(((2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4H-Chromen-4-One

• 英文名称5-Hydroxy-2-(4-Hydroxyphenyl)-8-(3-Methylbut-2-En-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-3-(((2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4H-Chromen-4-One
• 中文名称淫羊藿苷 A
• IUPAC名称5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
• 其它别名5-Hydroxy-2-(4-Hydroxyphenyl)-8-(3-Methylbut-2-Enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxychromen-4-One；5-Hydroxy-2-(4-Hydroxyphenyl)-8-(3-Methylbut-2-En-1-yl)-7-(((2
• CAS编号39012-04-9
• MFCD编号:MFCD16660659
• 分子式:C32H38O15分子量:662.64
• 产品CID: 1402394
• 产品分类天然产物 → 黄酮类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: OGYXOOJUJQIDOX-FVCAYHPDSA-N
• InChI=1S/C32H38O15/c1-12(2)4-9-16-18(44-32-27(42)25(40)22(37)19(11-33)45-32)10-17(35)20-23(38)30(47-31-26(41)24(39)21(36)13(3)43-31)28(46-29(16)20)14-5-7-15(34)8-6-14/h4-
• 计算化学: 氢键受体数15.0氢键供体数9.0可旋转键数8.0

物理性质

• 熔点235-237 °C (分解) (pyridine , water )
• 沸点971.5±65.0 °C at 760 mmHg
• 闪点310.9±27.8 °C
• 密度1.6±0.1 g/cm3
• pKa:5.91±0.40(预测)
• PSA:249.2
• LogP:2.3
• 折射率1.705
• 蒸汽压0.0±0.3 mmHg at 25°C
• 外观形态淡黄色至黄色固体
• 储存条件2-8°C

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P305+P351+P338-
• 危险品标志Xi

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902600000-乙苯
  2905122000-异丙醇
• 💡 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