5-羟基马鞭草苷 | 50816-24-5

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中文名称：5-羟基马鞭草苷
英文名称：Hastatoside
CAS No.：50816-24-5 分子式：C₁₇H₂₄O₁₁ 分子量：404.3659
植物源：马鞭草
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：5-羟基马鞭草苷结构式
价格行情：5-羟基马鞭草苷价格
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5-羟基马鞭草苷的其他展现形式

相关化合物

野芝麻新苷 Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,6,7-trihydroxy-7-methyl-,methyl ester, (1S,4aR,6S,7R,7aS)- CAS No.：27856-54-8

马鞭草苷 cornin CAS No.：548-37-8

环烯醚萜B Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7S,7aS)- CAS No.：288248-46-4

胡麻属苷 Methyl (1aR,1bS,2S,5aR,6R,6aS)-2-(β-D-glucopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate CAS No.：117479-87-5

methyl (1S,4aR,6S,7S)-4a,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate Methyl (1s,4ar,6s,7s)-4a,6-dihydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carboxylate CAS No.：98619-24-0

Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methyl-,methyl ester, (1S,4aR,7S,7aR)- CAS No.：27934-98-1

简介

Hastatoside 是一种从 Verbena officinalis 中分离出的环烯醚萜苷，具有促进睡眠的作用。

名称和标识符

MDL	MFCD09752811
InChIKey	PRZVXHGUJJPSME-CZMSZWGTSA-N
Inchi	1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13+,15-,16-,17+/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@@]([H])(C([H])([H])[H])C([H])([H])C([C@@]2(C(C(=O)OC([H])([H])[H])=C([H])O1)O[H])=O

别名信息

- 中文别名 -

5-羟基马鞭草苷戟叶马鞭草苷 5-羟基马鞭草苷对照品戟叶马鞭草苷 5 羟基马鞭草苷

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- 英文别名 -

Hastatoside Methyl 1-(hexopyranosyloxy)-4a-hydroxy-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Methyl (1R,4aR,7R,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymeth methyl (1S,4aR,7S,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 1alpha-(beta-D-Glucopyranosyloxy)-1,4a,5,6,7,7aalpha-hexahydro-4aalpha-hydroxy-7alpha-methyl-5-oxocyclopenta(C)pyran-4-carboxylic acid methyl ester 1alpha-(beta-D-Glucopyranosyloxy)-1,4a,5,6,7,7aalpha-hexahydro-4aalpha-hydroxy-7alpha-methyl-5-oxocyclopenta[c]pyran-4-carboxylic acid methyl ester 5-Hydroxyver

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物化性质

实验特性

LogP	-2.82770
PSA	172.21000
溶解度	易溶 (270 g/L) (25 ºC),
颜色与性状	Powder
密度	1.58±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量	404.13200
氢键供体数量	5
氢键受体数量	11
可旋转化学键数量	5
同位素质量	404.13186158 g/mol
重原子数量	28
复杂度	664
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）	-1.7
拓扑分子极性表面积	172
分子量	404.4