CAS: 124727-10-2; 3-O-β-D-Quinovopyranosylquinovic Acid 28-O-β-D-Glucopyranosyl Ester

• 英文名称3-O-β-D-Quinovopyranosylquinovic Acid 28-O-β-D-Glucopyranosyl Ester
• 中文名称鸡纳酸 3-O-(6-脱氧-β-D-吡喃葡萄糖苷) 28-O-β-D-吡喃葡萄糖酯
• IUPAC名称(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-4a-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-10-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-6a(1H)-carboxylic acid
• 其它别名Quinovic Acid 3-O-(6-Deoxy-Beta-D-Glucopyranoside) 28-O-Beta-D-Glucopyranosyl Ester; Quinovic Acid 3-O-(6-Deoxyglucoside) 28-O-Glucosyl Ester; Urs-12-Ene-27,28-Dioic Acid, 3-[(6-Deoxy-β-D-Glucopyranosyl)Oxy]-, 28-β-D-Glucopyranosyl Ester, (3β)-; Quinovicacid3-O-(6-Deoxy-β-D-Glucopyranoside)28-O-β-D-Glucopyranosylester; Quinovic Acid 3-O-(6-Deoxy-B-D-Glucopyranoside) 28-O-B-D-Glucopyranosyl Ester
• CAS编号124727-10-2
• MFCD编号:MFCD20274895
• 分子式:C42H66O14分子量:794.98
• 产品CID: 359926
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: AQLCKWUMMOZIEY-KZNIDIGNSA-N
• InChI=1S/C42H66O14/c1-19-10-15-41(37(52)56-35-33(49)31(47)29(45)23(18-43)54-35)16-17-42(36(50)51)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34
• 计算化学: 氢键受体数14.0氢键供体数8.0可旋转键数7.0

物理性质

• 熔点205-207 °C
• 沸点875.6±65.0 °C(预测)
• 闪点256.4±27.8 °C
• 密度1.37±0.1 g/cm3(预测)
• pKa:4.21±0.70(预测)
• PSA:232.9
• LogP:2.2645
• 产品应用该化合物用于其合成孔径雷达,DNA,TOP1抑制剂和抗脉搏作用.

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
  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