穿琥宁 | 76958-99-1

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