537-15-5 (迷迭香酸,Rosmarinic acid)

迷迭香酸(537-15-5)名称与标识符

名称

中文别名:
迷迭香酸;3-(3,4-二羟基苯基)-2-[3-(3,4-二羟基苯基)丙-2-烯酰氧基]丙酸;迷迭香素;迷迭酸酸;迷迭香酸,Rosmarinic acid,植物提取物,标准品,对照品;迷迭香酸;537-15-5 ;Rosmarinic acid;HPLC≥98%;标准品;对照品;
英文别名:
Rosmarinic acid;Rosmarin-saeure;Rose thiophene;ROSMARINATE;Rosmarinic acid (racemate);3-METHYL-2-BUTENYLTHIOPHENE;3-(3,4-Dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid;Rosemary acid;Labiatenic acid;(R)-rosmarinic acid;Rosmarinic-acid;MQE6XG29YI;C18H16O8;(R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid;3,4-Dihydroxycinnamic acid (R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester;(2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid;Rosemaric acid;(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop;Benzenepropanoic acid,a-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-;AM84697;3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid;(R)-.alpha.-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2E-propenyl]oxy]-3,4-dihydroxybenzenepropanoic acid;HMS1921J08;BRD-A03397678-001-06-2;537-15-5;NCGC00094959-04;DOUMFZQKYFQNTF-ZZXKWVIFSA-N;SMR000578091;179462-74-9;2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propano ic acid;HY-N2336;alpha-(((3,4-Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy- benzenepropanoic acid;CHEBI:17226;Q7762;3-(3,4-dihydroxyphenyl)-2-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)propanoic acid;SPECTRUM1502094;CCG-214251;SR-01000597653-4;BDBM50059986;3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoic acid;3-(3,4-dihydroxyphenyl)-2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid;BSPBio_003595;AKOS024283449;NCGC00094959-03;Rosemarinic Acid;EN300-718656;NCGC00094959-01;CS-6460;cid_5315615;SR-01000597653-1;SR-01000597653;NSC-687846;SCHEMBL19348;NSC687846;CHEMBL66966;NCGC00094959-02;Rosmarinsaure;MLS001097740;(R)-(+)-Rosmarinic Acid;alpha-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]3,4-dihydroxybenzenepropanoic acid;KBio3_003035;KBioSS_002472;DTXSID70896992;KBio2_007601;DivK1c_006798;FT-0657310;SY074011;KBio2_002465;KBio2_005033;SpecPlus_000702;Spectrum_001930;BCP13260;Labiatenic acid pound>>(R)-rosmarinic acid pound>>Rosemary acid;alpha-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoic acid;KBio1_001742;Spectrum3_001995;rosmarinate acid;TS-10190;3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid;GTPL13092;

标识符

MDL:
MFCD02114256
InChIKey:
DOUMFZQKYFQNTF-ZZXKWVIFSA-N
Inchi:
1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+
SMILES:
O(C(/C=C/C1C=CC(=C(C=1)O)O)=O)C(C(=O)O)CC1C=CC(=C(C=1)O)O

迷迭香酸(537-15-5)物化性质

实验特性

  • LogP : 1.76130
  • PSA : 144.52000
  • 折射率 : 1.713
  • 沸点 : 694.7 °C at 760 mmHg
  • 熔点 : 171-175 °C(lit.)
  • 闪点 : 254.5 °C
  • 密度 : 1.547

计算特性

  • 精确分子量 : 360.08500
  • 氢键供体数量 : 5
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 7
  • 同位素质量 : 360.085
  • 重原子数量 : 26
  • 复杂度 : 519
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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) : 2.4
  • 拓扑分子极性表面积 : 145

迷迭香酸(537-15-5)海关数据

海关编码:
2932999099
海关数据:

中国海关编码:

2932999099

概述:

2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

迷迭香酸(537-15-5)相关文献

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