CAS: 52613-28-2; Methyl (1S,4As,5S,7As)-5-Hydroxy-7-(Hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4A,5,7A-Tetrahydrocyclopenta[c]Pyran-4-Carboxylate

• 英文名称Methyl (1S,4As,5S,7As)-5-Hydroxy-7-(Hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4A,5,7A-Tetrahydrocyclopenta[c]Pyran-4-Carboxylate
• 中文名称去乙酰车叶草苷酸甲酯
• IUPAC名称methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
• 其它别名6-Alpha-Hydroxygeniposide; Deacetyl Asperulosidic Acid Methyl Ester; 6-Epiferetoside; Deacetylasperulosidic Acid Methyl Ester, , From Kadsura Interior; Methyl Deacetylasperulosidate; Deacetylasperuloside Acid Methyl Ester; Cyclopenta[c]Pyran-4-Carboxylic Acid, 1-(β-D-Glucopyranosyloxy)-1,4A,5,7A-Tetrahydro-5-Hydroxy-7-(Hydroxymethyl)-, Methyl Ester, (1S,4As,5S,7As)-; 6α-Hydroxygeniposide
• CAS编号52613-28-2
• MFCD编号:MFCD21364063
• 分子式:C17H24O11分子量:404.37
• 产品CID: 2508244
• 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: WSGPLSDARZNMCW-FCVLBCLDSA-N
• InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h2,5,8-14,16-23H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1
• 计算化学: 氢键受体数11.0氢键供体数6.0可旋转键数6.0

物理性质

• 沸点696.3±55.0 °C at 760 mmHg
• 闪点250.9±25.0 °C
• 密度1.6±0.1 g/cm3
• pKa:12.80±0.70(预测)
• PSA:175.37
• LogP:-2.72
• 折射率1.641
• 蒸汽压0.0±5.0 mmHg at 25°C
• 溶解性DMSO: 250 mg/mL (618.25 Mm; Need Ultrasonic)Methanol: 62.5 mg/mL (154.56 Mm; Need Ultrasonic)
• 外观形态白色至类白色粉末
• 储存条件-20°C
• 产品应用该化合物用作内容确定,识别和药理实验.

MSDS等安全信息

• 警示词Warning
• 危险描述H302-
• 防范说明P264-P270-P301+P312-P330-P501-
• 安全声明24/25

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海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
• 💡 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