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车叶草苷 | 14259-45-1

车叶草苷结构式图片|14259-45-1结构式图片
中文名称:车叶草苷
英文名称:Asperuloside
CAS No.:14259-45-1 分子式:C18H22O11 分子量:414.3607
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:车叶草苷结构式
MSDS:车叶草苷msds 价格行情:车叶草苷价格
国内供应商
车叶草苷的其他展现形式
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名称和标识符
InChIKey IBIPGYWNOBGEMH-UHFFFAOYSA-N
Inchi 1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3
SMILES O1C(C2=C([H])OC([H])(C3([H])C(C([H])([H])OC(C([H])([H])[H])=O)=C([H])C1([H])C32[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])=O
别名信息
- 中文别名 -
车叶草苷 ASPERULOSIDE 车叶草苷 车叶草苷对照品
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- 英文别名 -
Asperuloside 1H-2,6-Dioxacyclopent[cd]inden-1-one,4-[(acetyloxy)methyl]-5-(b-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS,4aS,5S,7bS)- Asperulosid 1H-2,6-Dioxacyclopent[cd]inden-1-one,4-[(acetyloxy)methyl]-5-(b-D-glucopyranosyloxy)-2a,4a,5,7... RUBICHLORIC ACID [ "" ] Nsc 31760 Einecs 238-137-5 (2aS)-2a,4aα,5,7bα-Tetrahydro-4-acetoxymethyl-5α-(β-D-glucopyranosyloxy)-1H-2,6-dioxacyclopent[cd]inden-1-one 1H-2,6-Dioxacyclopentcdinden-1-one, 4-(acetyloxy)methyl-5-(.beta.-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS,4aS,5S,7bS)- 1H-2,6-Dioxacyclopent(cd)inden-1-one, 4-((acetyloxy)methyl)-5-(beta-D-glucopyranosyloxy)-2A,4A,5,7B-tetrahydro-, (2as-(2aalpha,5alpha,7balpha))- (2As-(2aalpha,4aalpha,5alpha,7balpha))-5-(beta-D-glucopyranosyloxy)-2A,4A,5,7B-tetrahydro-1-oxo-1H-2,6-dioxacyclopent(cd)inden-4-ylmethyl acetate [2aS-(2aalpha,4aalpha,5alpha,7balpha)]-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-ylmethyl acetate [(4S,7R,11S)-2-Oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11] NSC31760 HMS3350H16 Asperuloside pound>>Rubichloric acid NSC258322 NCI60_002727 [2-Oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10)
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物化性质
 计算特性
精确分子量 414.11600
氢键供体数量 4
氢键受体数量 11
可旋转化学键数量 6
同位素质量 414.11621151 g/mol
重原子数量 29
复杂度 746
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 9
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -2.4
拓扑分子极性表面积 161
分子量 414.4
 实验特性
LogP -2.29600
PSA 161.21000
熔点 131-132°
颜色与性状 Powder
比旋光度 D25 -198.6° (c = 1.44 in water)
化合物详情(旧版)

物理化学性质

溶解性:可溶于甲醇、乙醇、DMSO等有机溶剂

熔点:125-127℃

鉴别方法:NMR,Ms

有效期:两年

产品用途

应用领域

推荐测定方法

RP-HPLC 乙腈-0.2%磷酸(5:95) ,波长:240nm

药理药效

具有抗炎作用




化学品安全说明书(MSDS)



储运特性

避光密闭(2-8℃)


扩展阅读
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