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穿琥宁 | 76958-99-1

穿琥宁结构式图片|76958-99-1结构式图片
中文名称:穿琥宁
英文名称:Potassium;4-[[(1R,4aR,5R,8aS)-2-(3-carboxypropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(E)-2-(5-oxo-2H-furan-4-yl)ethenyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoate
CAS No.:76958-99-1 分子式:C28H35KO10 分子量:570.6698
植物源: 穿心莲  
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:穿琥宁结构式
价格行情:穿琥宁价格
穿琥宁的其他展现形式
  • 相关化合物
双穿心莲内酯 C 2(5H)-Furanone,5-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-(2,5-dihydro-2-oxo-3-furanyl)ethyl]-3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethenyl]-(9CI) CAS No.:160498-02-2
双穿心莲内酯 A 2(5H)-Furanone,5-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-(2,5-dihydro-2-oxo-3-furanyl)ethyl]-3-[(1E)-2-[(1R,4aS,5R,6R,8aR)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethenyl]- CAS No.:160498-00-0
14-去氧-11,12-二去氢穿心莲内酯 14-Deoxy-11,12-didehydroandrographolide CAS No.:42895-58-9
N/A CAS No.:886988-89-2
19-O-acetyl-14-deoxy-11,12-didehydroandrographolide CAS No.:1207722-88-0
2(5H)-Furanone,3-[(1E)-2-[(1S,4R,4aS,8aR)-decahydro-4-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethenyl]- CAS No.:162762-94-9
名称和标识符
Inchi 1S/C28H36O10.K/c1-17-4-7-20-27(2,19(17)6-5-18-13-15-36-26(18)35)14-12-21(38-25(34)11-9-23(31)32)28(20,3)16-37-24(33)10-8-22(29)30;/h5-6,13,19-21H,1,4,7-12,14-16H2,2-3H3,(H,29,30)(H,31,32);/q;+1/p-1/b6-5+;/t19-,20+,21?,27+,28+;/m1./s1
InChIKey ASSFASHREXZFDB-YKMUCVIFSA-M
SMILES [K+].O(C(C([H])([H])C([H])([H])C(=O)O[H])=O)C1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(/C(/[H])=C(\[H])/C3C(=O)OC([H])([H])C=3[H])C(=C([H])[H])C([H])([H])C([H])([H])[C@]2([H])[C@]1(C([H])([H])[H])C([H])([H])OC(C([H])([H])C([H])([H])C(=O)[O-])=O
别名信息
- 中文别名 -
穿琥宁
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- 英文别名 -
Butanedioic acid,1-[[(1R,2R,4aR,5R,8aS)-2-(3-carboxy-1-oxopropoxy)-5-[(1E)-2-(2,5-dihydro-2-oxo-3-furanyl)ethenyl]decahydro-1 Butanedioic acid,1-[[(1R,2R,4aR,5R,8aS)-2-(3-carboxy-1-oxopropoxy)-5-[(1E)-2-(2,5-dihydro-2-oxo-3-furanyl)ethenyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenyl]methyl]ester, potassium salt (1:1) potassium,4-[[(1R,2R,4aR,5R,8aS)-2-(3-carboxypropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(E)-2-(5-oxo-2H-furan-4-yl)ethenyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoate Dehydroandrographolide Succinate Potasium Salt Ddhads dehydroandrographolide-succinate-potasium-salt Potassium;4-[[(1R,4aR,5R,8aS)-2-(3-carboxypropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(E)-2-(5-oxo- Potassium;4-[[(1R,4aR,5R,8aS)-2-(3-carboxypropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(E)-2-(5-oxo- Kalii Dehydrographolidi Succinas
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物化性质
 计算特性
精确分子量 570.186729
同位素质量 570.186729
同位素原子数量 0
氢键供体数量 1
氢键受体数量 10
重原子数量 39
可旋转化学键数量 13
复杂度 1060
共价键单元数量 2
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 1
不确定化学键立构中心数量 0
拓扑分子极性表面积 156
 实验特性
沸点 733.8°C at 760 mmHg
闪点 239.1°C
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