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(1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid | CAS No. 1182-34-9

(1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid

Basic Information

Chemical_Structure_Of
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CAS Number

1182-34-9

Molecular Formula

C25H24O12

Molecular Weight

516.46 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
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White powder

Melting Point

225-227 ºC

SMILES

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C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

InChI

InChI=1S/C25H24O12/c26-15-5-1-13(11-17(15)28)3-7-20(30)36-19-9-10-25(24(34)35,23(33)22(19)32)37-21(31)8-4-14-2-6-16(27)18(29)12-14/h1-8,11-12,19,22-23,26-29,32-33H,9-10H2,(H,34,35)/b7-3+,8-4+/t19-,22-,23+,25+/m1/s1

InChIKey

AGWPABZXEMVRNE-ZFNQUHTLSA-N

LogP

1.0295999999999985

Topological Polar Surface Area

211.27999999999997 Ų

Hydrogen Bond Donor/Acceptor

7 / 12

Complexity

873

Synonyms & References

English

  • 1,4-Dicaffeoylquinic acid
  • AC-6034
  • Cinnamic acid, 3,4-dihydroxy-, 1-carboxy-3,5-dihydroxy-1,4-cyclohexylene ester
  • (1S,2S,3S,4R)-1,4-Bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-2,3-dihydroxy-cyclohexanecarboxylic acid
  • CIN [Italian]
  • SCHEMBL16221619
  • MEGxp0_000656
  • A803898
  • 251320-68-0
  • UNII-50048OZ68I
  • 1182-34-9
  • EINECS 214-655-7
  • CHEBI:176204
  • 3,4-Dihydroxycinnamic acid 1-carboxy-3,5-dihydroxy-1,4-cyclohexylene ester
  • Acido, 1,4-dicaffeilchinico [Italian]
  • rel-(1alpha,3R,4alpha,5R)-1,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxycyclohexanecarboxylicacid
  • ACon1_001889
  • CYCLOHEXANECARBOXYLIC ACID, 1,4-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-3,5-DIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-
  • Acido, 1,4-dicaffeilchinico
  • AKOS025402175
  • Q27260722
  • NCGC00180035-01
  • SCHEMBL20883251
  • Cyclohexanecarboxylic acid, 1,4-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-3,5-dihydroxy-, (1alpha,3R,4alpha,5R)-
  • HY-N0358
  • rel-(1alpha,3R,4alpha,5R)-1,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxycyclohexanecarboxylic acid
  • 50048OZ68I
  • NSC-91529
  • (3R,5R)-1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-1-carboxylic acid
  • 1,4-Di-O-caffeoylquinic acid
  • Cyclohexanecarboxylic acid, 1,4-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,5-dihydroxy-, (1alpha,3alpha,4alpha,5beta)-

MDL Number

MFCD13196510

Customs Code

2932999099

FAQ

What is (1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid (CAS: 1182-34-9)?
This compound, with the CAS number 1182-34-9, is a complex organic molecule characterized by a cyclohexanecarboxylic acid backbone substituted with two [(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy groups. It exhibits stereochemical features with specific configurations (1S,2S,3S,4R) and contains multiple hydroxyl and phenyl groups, contributing to its polarity and potential biological activity.

What are the main uses of (1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid (CAS: 1182-34-9)?
This compound is primarily used in pharmaceutical research for its potential as a chiral building block or in drug development due to its structural complexity. It may also find applications in organic synthesis and as a precursor for other bioactive molecules, though specific industrial or commercial uses are not widely documented.

Is (1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid (CAS: 1182-34-9) safe?
Safety data for this compound is limited, but as with many complex organic chemicals, it should be handled with care. It is advisable to use appropriate personal protective equipment (PPE) and follow standard laboratory safety protocols. Further toxicological studies are needed to fully assess its safety profile for human and environmental exposure.

How should (1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid (CAS: 1182-34-9) be stored?
This compound should be stored in a cool, dry, and dark place, preferably at 2-8°C, in a sealed container to prevent moisture and light exposure. It is important to maintain controlled humidity levels and ensure it is kept away from incompatible substances to preserve its stability and integrity.

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(1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid — Hubei Yunmei Technology Co., Ltd.

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(1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid — ShangHaiMaiRuiErShengHua Technology Co Ltd

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(1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid — NaJingPuYi Biotechnology Co Ltd

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(1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid — NaJingQingYun Biotechnology Co Ltd

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(1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid — Jin Jinle (Hunan) Chemical Co., Ltd.

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