脱水穿心莲内酯琥珀酸半酯 | 786593-06-4

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中文名称：脱水穿心莲内酯琥珀酸半酯
英文名称：Dehydroandrographolide succinate
CAS No.：786593-06-4 分子式：C₂₈H₃₆O₁₀ 分子量：532.5794
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：脱水穿心莲内酯琥珀酸半酯结构式
价格行情：脱水穿心莲内酯琥珀酸半酯价格
国内供应商

脱水穿心莲内酯琥珀酸半酯的其他展现形式

相关化合物

穿心莲内酯 Andrographolide CAS No.：5508-58-7

Butanedioic acid,mono[decahydro-1-(hydroxymethyl)-1,4a-dimethyl-6-methylene-5-[2-(2-oxo-3(2H)-furanylidene)ethyl]-2-naphthalenyl]ester, [1R-[1a,2a,4aa,5b(E),8ab]]- (9CI) CAS No.：138898-71-2

(E)-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)furan-2(3H)-one CAS No.：1032910-41-0

(2R,5S,6S,10R,12E)-17-[(3-carboxypropanoyl)oxy]-2-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloretinal - (2R,5S,6S,10R,12E)-2-[(3-carboxypropanoyl)oxy]-17-hydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11-octahydro-20:5,10-dicycloret CAS No.：134418-29-4

Butanedioic acid,mono[[decahydro-2-hydroxy-1,4a-dimethyl-6-methylene-5-[2-(2-oxo-3(2H)-furanylidene)ethyl]-1-naphthalenyl]methyl]ester, [1R-[1a,2a,4aa,5b(E),8ab]]- (9CI) CAS No.：138898-72-3

去乙酰基车叶草苷酸 (1S,4As,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid CAS No.：14259-55-3

名称和标识符

InChIKey	YTHKMAIVPFVDNU-GPTWTFMPSA-N
Inchi	1S/C28H36O10/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)/b6-5+/t19-,20+,21-,27+,28+/m1/s1
SMILES	O(C(C([H])([H])C([H])([H])C(=O)O[H])=O)[C@]1([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[H])=O

别名信息

- 中文别名 -

脱水穿心莲内酯琥珀酸半酯对照品脱水穿心莲内酯琥珀酸半酯

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- 英文别名 -

Butanedioicacid,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 4-[[(1R,2R,4aS,5R,8aS)-2-(3-carboxypropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(2E)-2-(2-oxofuran-3-ylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic acid Butanedioicacid,1-[[(1R,2R,4aR,5R,8aS)-2-(3-carboxy-1-oxopropoxy)-5-[(1E)-2-(2,5-dihydro-2-oxo-3-furanyl)ethenyl]decahydro-1, Dehydroandrographolide Succinate UNII-0X50BP49M1 DEHYDROANDROGRAPHOLIDESUCCINATE dehydroandrographolide-succinate 9321AF 8092AH 4-[[(1R,2R,4aR,5R,8aS)-2-(4-hydroxy-4-oxobutanoyl)oxy-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-oxobutanoic acid Butanedioicacid,1-[[(1R,2R,4aR,5R,8aS)-2-(3-carboxy-1-oxopropoxy)-5-[(1E)-2-(2,5-dihydr

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物化性质

计算特性

精确分子量	532.23100
氢键供体数量	2
氢键受体数量	10
可旋转化学键数量	13
同位素质量	532.23084734 g/mol
重原子数量	38
复杂度	1060
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	1
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）	2.7
拓扑分子极性表面积	154
分子量	532.6

实验特性

LogP	3.59920
PSA	153.50000
熔点	136-138℃
密度	1.29

化合物 786593-06-4 合成路线共 2 条合成路线

110-15-6

786593-06-4

~92%


108-30-5
110-15-6

786593-06-4

~93%


108-30-5