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丹酚酸 B | 121521-90-2

丹酚酸 B
Salvianolic acid B
121521-90-2
C36H30O16
718.6138
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:丹酚酸 B结构式
丹酚酸 BMSDS
329825118
丹酚酸 B价格
简介

    丹酚酸 B是一种抗氧化剂和自由基清除化合物,是从丹参中提取出来的最丰富的生物活性化合物。

    [植物来源] :丹参根茎

    [性状] :类白色结晶粉末

    [溶解性] :可溶于水、甲醇乙醇

    [药理作用] :丹酚酸B具有抗氧化,保护心脏,保护脑,抗肿瘤的作用




名称和标识符
MDL MFCD23115783
InChIKey SNKFFCBZYFGCQN-ZQDRKSDISA-N
Inchi 1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28+,31+,32-/m1/s1
SMILES O1C2=C(C([H])=C([H])C(/C(/[H])=C(\[H])/C(=O)O[C@@]([H])(C(=O)O[H])C([H])([H])C3C([H])=C([H])C(=C(C=3[H])O[H])O[H])=C2[C@]([H])(C(=O)O[C@]([H])(C(=O)O[H])C([H])([H])C2C([H])=C([H])C(=C(C=2[H])O[H])O[H])[C@@]1([H])C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])O[H]
别名信息
- 中文别名 -
  • 丹酚酸 B
  • 紫草酸B
  • 丹酚酸 B, 来源于丹参
  • 丹参总酚酸
  • 2 - 苯基- 2 -(1 - 哌啶基)丙烷
  • 丹参酚酸B
  • 丹参浸膏粉
  • 丹参缩酚酸 B
  • 丹酚酸B(P)
  • 丹酚酸B
  • 丹参酚酸B
  • 丹酚酸B
  • 中药对照品 丹酚酸B
  • LITHOSPERMIC ACID B
- 英文别名 -
  • lithospermic acid B
  • SALVIANOLIC ACID B
  • DANFENSUAN B
  • 3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethyl) 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylate (2S-(2alpha,3beta(S*),4(E(S*))))-
  • 3-Benzofurancarboxylic acid, 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethyl) ester, (2S-(2alpha,3beta(S*),4(E(S*))))-
  • Salvialic acid B
  • Salvianolic acid B, froM Salvia Miltiorrhiza
  • (2S,3S)-4-[(1E)-3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid 3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester
  • SALVIANOLIC ACID B(P) PrintBack
  • SALVIANOLIC ACID B(RG)
  • Dan Shen Suan B
  • [ "Lithospermic acid B" ]
  • Salvianolic Acid B (25 mg)
  • 521L902
  • (2R)-2-[(E)-3-[(2S,3S)-3-[(1S)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphen
  • Lithospermic acid B
  • Danfensuan B
  • Salvianolic acid B
  • Extra Cas No: 115939-25-8
  • Salvianolic acid B, 98%, from Salvia miltiorrhiza
  • SALVIANOLIC ACID B (CONSTITUENT OF CHINESE SALVIA)
  • CCG-270402
  • Salvianolic acid B, United States Pharmacopeia (USP) Reference Standard
  • (R)-2-(((2S,3S)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoicacid
  • SALVIANOLIC ACID B (CONSTITUENT OF CHINESE SALVIA) [DSC]
  • 115939-25-8
  • (2S,3S)-4-((1E)-3-((1R)-1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHOXY)-3-OXO-1-PROPEN-1-YL)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-3-BENZOFURANCARBOXYLIC ACID 3-((1R)-1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHYL) ESTER
  • UNII-C1GQ844199
  • (2R)-2-{[(2E)-3-[(2S,3S)-3-{[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy}-3-(3,4-dihydroxyphenyl)propanoic acid
  • SCHEMBL19512041
  • DTXSID201031347
  • 3-Benzofurancarboxylic acid,4-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-,3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester, (2R,3R)-
  • 3-Benzofurancarboxylic acid, 4-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester, (2S,3S)-
  • Salvianolic acid B, analytical standard
  • SALVIANOLIC ACID B [USP-RS]
  • Salvianolic acid B, >=94% (HPLC)
  • AKOS037514825
  • (R)-2-(((2S,3S)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid
  • Q27275057
  • 121521-90-2
  • 1ST40059
  • BDBM50587725
  • (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethoxy]carbonyl-7-hydroxy-2,3-dihydrobenzofuran-4-yl]prop-2-enoyl]oxy-propanoic acid
  • SALVIANOLIC ACID B [INCI]
  • C1GQ844199
  • CS-5615
  • (2R)-2-[(E)-3-[(2S,3S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
  • CHEBI:134301
  • (2R)-2-(((2E)-3-((2S,3S)-3-(((1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)carbonyl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl)prop-2-enoyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid
  • HY-N1362
  • CHEMBL1615434
  • ZINC-49538628
  • Salvianolic acid B, European Pharmacopoeia (EP) Reference Standard
  • SALVIANOLIC ACID B (USP-RS)
  • Q-100077
  • S4735
  • (2R)-2-({(2E)-3-[(2S,3S)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid
  • Monardic acid B
  • SALVIANOLIC ACID B [WHO-DD]
  • 4-{(E)-2-[1-Carboxy-2-(3,4-dihydroxy-phenyl)-ethoxycarbonyl]-vinyl}-2-(3,4-dihydroxy-phenyl)-7-hydroxy-2,3-dihydro-benzofuran-3-carboxylic acid 2-carboxy-3-(3,4-dihydroxy-phenyl)-propyl ester
  • CHEMBL2261308
  • A891594
  • BDBM50487948
  • (2R)-2-[(E)-3-[(2S,3S)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
  • Lithospermate B
  • inverted exclamation markY94%(HPLC)
物化性质
实验特性
LogP 3.33450
PSA 278.04000
折射率 1.739
沸点 1020.3℃ at 760mmHg
熔点 129-133°C
闪点 322.1°C
溶解度 H2O: ≥5mg/mL
颜色与性状 Oil
溶解性 H2O: ≥5mg/mL
光学活性 [α]/D +95 to +115°, c = 1 in methanol
密度 1.6370
计算特性
精确分子量 718.15300
氢键供体数量 9
氢键受体数量 16
可旋转化学键数量 14
同位素质量 718.15338487 g/mol
重原子数量 52
复杂度 1290
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 4
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) 4
拓扑分子极性表面积 278
分子量 718.6
生产方法和用途
用途 用于丹参片剂、针剂
专业数据库参考
PubChemId 329825118
参考资料
Reaxys RN
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