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车叶草苷酸甲酯 | 14260-99-2

车叶草苷酸甲酯结构式图片|14260-99-2结构式图片
车叶草苷酸甲酯
Daphylloside
14260-99-2
C19H26O12
446.4025
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:车叶草苷酸甲酯结构式
21602024
车叶草苷酸甲酯价格
简介
Daphylloside是从 Galium verum 的地上部分分离的环烯醚萜苷。
名称和标识符
InChIKey YSOBQIMODQOGKQ-HOZAMIDDSA-N
Inchi 1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,18-,19-/m0/s1
SMILES O([C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])[C@@]1([H])[C@]2([H])C(C([H])([H])OC(C([H])([H])[H])=O)=C([H])[C@@]([H])([C@]2([H])C(C(=O)OC([H])([H])[H])=C([H])O1)O[H]
别名信息
- 中文别名 -
  • 车叶草苷酸甲酯
  • 交让木苷
  • 交让木苷(车叶草苷酸甲酯)
- 英文别名 -
  • Cyclopenta[c]pyran-4-carboxylicacid, 7-[(acetyloxy)methyl]-1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl ester,(1S,4aS,5S,7aS)-
  • Daphylloside
  • Cyclopenta[c]pyran-4-carboxylicacid, 7-[(acetyloxy)methyl]-1-(b-D-glucopyranosyloxy)-1,4a,5,7a...
  • Cyclopenta[c]pyran-4-carboxylicacid, 7-[(acetyloxy)methyl]-1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl
  • Methyl (1S,4aS,5S,7aS)-7-(acetoxymethyl)-1-(β-D-glucopyranosyloxy )-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
  • Asperulosid
  • asperulosidic acid methyl ester
  • RUBICHLORIC ACID
  • [ "" ]
  • Methyl asperulosidic acid
  • (1S)-7-(Acetoxymethyl)-1α-(β-D-glucopyranosyloxy)-1,4aα,5,7aα-tetrahydro-5β-hydroxycyclopenta[c]pyran-4-carboxylic acid methyl ester
  • (1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
  • (1S,4aα,7aα)-7-[(Acetyloxy)methyl]-1α-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5β-hydroxycyclopenta[c]pyran-4-carboxylic acid methyl ester
  • Methyl (4aR,7aR)-7-(acetyloxymethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,
  • methyl (1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
  • (1S)-1alpha-(beta-D-Glucopyranosyloxy)-5beta-hydroxy-7-(acetoxymethyl)-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyra
  • (1S)-1alpha-(beta-D-Glucopyranosyloxy)-5beta-hydroxy-7-(acetoxymethyl)-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
  • CHEMBL3937733
  • AKOS032962362
  • NCGC00380265-01_C19H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl ester, (1S,4aS,5S,7aS)-
  • HY-N6245
  • PD100185
  • ASPERULOSIDICACIDMETHYLESTER
  • FS-10348
  • 14260-99-2
  • NCGC00380265-01
  • CS-0032780
  • CHEBI:182720
  • (E)-3-(4-Methoxy-3-(propionyloxy)phenyl)-2-methylacrylic acid
  • ASPERULOSIDIC ACID METHYL ESTER
  • SCHEMBL9057631
  • Asperulosidic acid methyl ester
物化性质
实验特性
LogP -2.68750
PSA 181.44000
折射率 1.61
沸点 678.3±55.0 °C at 760 mmHg
蒸气压 0.0±4.7 mmHg at 25°C
闪点 237.7±25.0 °C
颜色与性状 Oil
密度 1.6±0.1 g/cm3
计算特性
精确分子量 446.14200
氢键供体数量 5
氢键受体数量 12
可旋转化学键数量 8
同位素质量 446.14242626 g/mol
重原子数量 31
复杂度 748
同位素原子数量 0
确定原子立构中心数量 9
不确定原子立构中心数量 0
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) -2.9
拓扑分子极性表面积 181
分子量 446.4
专业数据库参考
PubChemId 21602024
参考资料
Reaxys RN
化合物详情(旧版)
 
扩展阅读
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