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(2R)-2-({(2E)-3-[(2R,3R)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic a cid | CAS No. 115939-25-8

(2R)-2-({(2E)-3-[(2R,3R)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic a cid

Basic Information

Chemical_Structure_Of
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CAS Number

115939-25-8

Molecular Formula

C36H30O16

Molecular Weight

718.62 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

SMILES

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C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O

InChI

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

InChIKey

SNKFFCBZYFGCQN-PDVBOLEISA-N

LogP

3.334500000000004

Topological Polar Surface Area

278.03999999999996 Ų

Hydrogen Bond Donor/Acceptor

9 / 16

Complexity

1290

Synonyms & References

English

  • Salvianolic-acid-B
  • Salvianolic acid B
  • Danshensuan B
  • CHEMBL3747259
  • Salvianic acid B
  • 121521-90-2
  • (R)-2-(((2R,3R)-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
  • (2R)-2-{[(2E)-3-[(2R,3R)-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
  • MFCD23115783
  • Danfensuan B
  • AS-56980
  • 1607436-77-0
  • (2R)-2-[(E)-3-[(2R,3R)-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
  • AKOS015920258
  • 115939-25-8
  • (R)-2-((2R,3R)-4-((E)-3-((R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-enyl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid
  • [2R-[2a,3b-(R*),4[E(R*)]]]-3-Benzofurancarboxylic acid 4-[3-[1-carboxy-2-(3,4-dihydroxy-phenyl) ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydrophenyl)-2,3-dihydro-7-hydroxyl-3-[1-carboxy-2-(3,4-dihydroxyphenyl) ethyl] ester
  • Lithospermate-B
  • SALVIANOLIC ACID B (RG)
  • Salvianolic
  • SALVIANICACIDB
  • (R)-2-(((2R,3R)-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 aci
  • 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
  • Salvianolic acid B
  • 4-[2-[1-carboxy-2-(3,4-dihydroxy-phenyl)-ethoxycarbonyl]-vinyl]2-(3,4-dihydroxy-phenyl)-7-hydroxy-2,3-dihydro-benzofuran-3-carboxylic acid 1-carboxy-(3,4-dihydroxy-phenyl)-ethyl ester
  • 4-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxybenzofuran-3-carboxylic acid 3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester
  • [2R-[2a,3b-(R*),4[E(R*)]]]-3-Benzofurancarboxylic acid 4-[3-[1-carboxy-2-(3,4-dihydroxy-phenyl) ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydrophenyl)-2,3-dihydro-7-hydroxyl-3-[1-carboxy-2-(3,4-dihydroxyphen
  • danfensuan
  • SALVIANOLIC ACID B(P)
  • SALVIANOLIC ACID B(RG)(CALL)
  • Powdered Chinese Salvia Extract (1 g)

MDL Number

MFCD07779133

Customs Code

29329990

FAQ

What is (2R)-2-({(2E)-3-[(2R,3R)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid (CAS: 115939-25-8)?
This compound, with the CAS number 115939-25-8, is a complex organic molecule containing multiple chiral centers and functional groups. It features a benzofuran ring substituted with hydroxy and ethoxy groups, along with a propanoic acid chain. Its structure suggests potential biological activity, making it relevant for research in pharmaceutical and biochemical contexts.

What are the main uses of (2R)-2-({(2E)-3-[(2R,3R)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid (CAS: 115939-25-8)?
This compound is primarily used in pharmaceutical research for its potential neuroprotective and anti-inflammatory properties. It may also find applications in drug development targeting neurological disorders. Its complex structure makes it a valuable candidate for studying molecular interactions and biochemical pathways.

Is (2R)-2-({(2E)-3-[(2R,3R)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid (CAS: 115939-25-8) safe?
Safety data for this compound is limited, but as with most complex organic chemicals, it should be handled with care. Proper protective equipment, such as gloves and goggles, is recommended during handling. It is advisable to follow standard laboratory safety protocols and consult safety data sheets for detailed information on toxicity and exposure limits.

How should (2R)-2-({(2E)-3-[(2R,3R)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid (CAS: 115939-25-8) be stored?
This compound should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container away from moisture and light. Storage at 2-8°C is ideal to prevent degradation, and it should be handled in a well-ventilated area to ensure safety.

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Supplier Information

Hubei Hanwei Chemical Co., Ltd.

CAS Number: 115939-25-8

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(2R)-2-({(2E)-3-[(2R,3R)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic a cid — Baoji City Chen Guang Biotechnology Co., Ltd.

Baoji City Chen Guang Biotechnology Co., Ltd.

CAS Number: 115939-25-8

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ShenZhenBoTaiWangDaYiYao Technology Co Ltd

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HuBeiXinKangYaoHuaYouXianGongSiHuaXueYanJiuSuo

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HuBeiXinKangYiYao Chemical Co Ltd

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NaJingJingZhuShengWuKeJiZeRen Co Ltd

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Hubei Tuopan Chemical Co., Ltd.

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Shanghai Hansi Chemical Co., Ltd.

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NaJingZeLangYiYaoJiShu Co Ltd

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(2R)-2-({(2E)-3-[(2R,3R)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic a cid — Chengdu Jeteng Biotechnology Co., Ltd.

Chengdu Jeteng Biotechnology Co., Ltd.

CAS Number: 115939-25-8

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(2R)-2-({(2E)-3-[(2R,3R)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic a cid — Beijing Huikang Boyuan Pharmaceutical Technology Co., Ltd.

Beijing Huikang Boyuan Pharmaceutical Technology Co., Ltd.

CAS Number: 115939-25-8

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ZhengZhouFengYaoNongYe Technology Co Ltd

CAS Number: 115939-25-8

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(2R)-2-({(2E)-3-[(2R,3R)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic a cid — TianMenHengChang Chemical Co Ltd

TianMenHengChang Chemical Co Ltd

CAS Number: 115939-25-8

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(2R)-2-({(2E)-3-[(2R,3R)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic a cid — Hubei Chenghai Chemical Co., Ltd.

Hubei Chenghai Chemical Co., Ltd.

CAS Number: 115939-25-8

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(2R)-2-({(2E)-3-[(2R,3R)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]-2-propenoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic a cid — ShangHaiMaiRuiErShengHua Technology Co Ltd

ShangHaiMaiRuiErShengHua Technology Co Ltd

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