苍术苷钾盐 | 102130-43-8

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中文名称：苍术苷钾盐
英文名称：Atractyloside
CAS No.：102130-43-8 分子式：C₃₀H₄₄K₂O₁₆S₂ 分子量：802.9874
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：苍术苷钾盐结构式
价格行情：苍术苷钾盐价格
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苍术苷钾盐的其他展现形式

相关化合物

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苍术苷二钾盐 dipotassium (2R,4R,4aR,6aR,7S,9S,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside CAS No.：17754-44-8

3beta-O-{[3-O-methyl-beta-D-xylopyranosyl-(1?3)-beta-D-glucopyranosyl-(1?4)]-[beta-D-xylopyranosyl-(1?2)]-beta-D-quinovopyranosyl-(1?2)-4-O-sodium sulphate-beta-D-xylopyranosyl}-16beta-acetoxyholosta-7,23(E)-diene-25-ol CAS No.：1403462-40-7

24(S)-hydroxy-25-dehydro-echinoside A CAS No.：97243-47-5

Lup-20(29)-en-28-oicacid, 3-(sulfooxy)-, 28-(O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl) ester, (3a)- (9CI) CAS No.：137553-03-8

名称和标识符

InChIKey	IUCNQFHEWLYECJ-UAPRPQGYSA-L
Inchi	1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16?,17-,18-,19-,20?,21+,23?,24?,25?,26+,28?,29-,30-;;/m1../s1
SMILES	[K+].[K+].S(=O)(=O)([O-])OC1([H])C([H])(C([H])(C([H])([H])O[H])OC([H])(C1([H])OC(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)O[C@]1([H])C([H])([H])[C@@]([H])(C(=O)O[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]34[C@]([H])(C(=C([H])[H])C([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]2(C([H])([H])[H])C1([H])[H])C4([H])[H])O[H])OS(=O)(=O)[O-]

别名信息

- 中文别名 -

苍术苷二钾盐苍术苷钾盐苍术苷苍术苷二钾苍术苷二钾盐(分析标准品) 苍术苷二钾盐,苍术苷钾盐,苍术苷

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- 英文别名 -

Atractyloside potassium salt 19-Norkaur-16-en-18-oicacid, 15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-b-D-glucopyranosyl]oxy]-,dipotassium sal Atractyloside (potassium salt) (2beta,15alpha)-15-Hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oic acid dipotassium salt ATR, 2K ATRACTYLOSIDE, DIPOTASSIUM SALT ATRACTYLOSIDE, DIPOTASSIUM SALT, ATRACTYLIS GUMMIFERA 19-Norkaur-16-en-18-oic acid deriv. 1H-2,10a-Ethanophenanthrene (2β,15α)-15-Hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-β-D-glucopyranosyl]oxy]-19-Norkaur-16-en-18-oic Acid Dipotassium Salt 19-Norkaur-16-en-18-oicacid, 15-hydroxy-2-[[2-O-(3-Methyl-1-oxobutyl)-3,4-di-O-sulfo-b-D-glucopyranosyl]oxy]-,dipotassiuM salt, (2b,15a)- (9CI) 19-Norkaur-16-en-18-oic acid, 15-hydroxy-2-2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-.beta.-D-glucopyranosyloxy-, dipotassium salt, (2.beta.,15.alpha.)- Atractyloside dipotassium salt, >=98% Atractyloside potassium salt atractyloside ATRACTYLOSIDE POTASSIUM Prestwick_47 SPECTRUM1502117 and adenosine nucleotide transfer HMS501D16 HMS1570C16

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物化性质

计算特性

精确分子量	802.13400
氢键供体数量	3
氢键受体数量	16
可旋转化学键数量	10
同位素质量	802.1344906 g/mol
重原子数量	50
复杂度	1440
同位素原子数量	0
确定原子立构中心数量	7
不确定原子立构中心数量	6
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	3
表面电荷	0
拓扑分子极性表面积	272
分子量	803.0

实验特性

LogP	3.14340
PSA	272.14000
溶解度	H2O: 20 mg/mL
颜色与性状	Powder
溶解性	溶于水

安全信息纠错

WGK Germany	3
安全术语	6.1(a)
安全说明	S36/37
风险术语	R23/24/25
危险等级	6.1(a)
危险品标志	T
危险品运输编号	UN 2811 6.1/PG 2
危害声明	H301-H311-H331
警示性声明	P261-P280-P301+P310-P311
储存条件	Sealed in dry,2-8°C(BD114812)
PackingGroup	Ⅱ
危险类别码	23/24/25
信号词	Danger
HazardClass	6.1(a)

扩展阅读

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