960化工网/ 化工词典/ 6“-丙二酰菊花胺 | 171828-62-9

6“-丙二酰菊花胺 | 171828-62-9

6“-丙二酰菊花胺结构式图片|171828-62-9结构式图片
中文名称:6“-丙二酰菊花胺
英文名称:6"-Malonylchrysanthemin
CAS No.:171828-62-9 分子式:C24H23O14 分子量:535.431028604507
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:6“-丙二酰菊花胺结构式
价格行情:6“-丙二酰菊花胺价格
国内供应商
6“-丙二酰菊花胺的其他展现形式
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名称和标识符
InChIKey ROQLTZUOXIQBDO-JZWLZXDTSA-O
Inchi 1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1/t17-,20-,21+,22-,24-/m1/s1
SMILES C12C([O+]=C(C3=CC(O)=C(O)C=C3)C(O[C@@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C1)=CC(O)=CC=2O
别名信息
- 中文别名 -
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- 英文别名 -
1-Benzopyrylium,3-[[6-O-(2-carboxyacetyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- 6"-Malonylchrysanthemin 3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid Cyanidin-3-(6'-malonylglucoside) Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside) Cyanidin 3-O-(6'-O-malonylglucoside) 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside C12643 Cyanidin 3-(6''-malonyl)glucoside Q27114312 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-(carboxyacetyl)-β-D-glucopyranoside 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl-6-O-(carboxyacetyl)-β-D-glucopyranosid 6-O-(2-Carboxyacétyl)-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-3-chroméniumyle β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl, 6-(2-carboxyacetate) 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside Cyanidin 3-O-(6-O-malonyl-β-D-glucoside)
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物化性质
 计算特性
精确分子量 535.10878040 g/mol
氢键供体数量 8
氢键受体数量 13
可旋转化学键数量 8
同位素质量 535.10878040 g/mol
重原子数量 38
复杂度 826
同位素原子数量 0
确定原子立构中心数量 5
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
拓扑分子极性表面积 225
分子量 535.4

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