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(1S,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

Base Information
  • Chemical Name:(1S,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
  • CAS No.:110241-35-5
  • Molecular Formula:C27H28 O13
  • Molecular Weight:560.512
  • Hs Code.:
  • Mol file:110241-35-5.mol
(1S,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

Synonyms:3-caffeoyl-4-sinapoylquinic acid;3-CSQA

Suppliers and Price of (1S,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
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The product has achieved commercial mass production*data from LookChem market partment
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Total 1 raw suppliers
Chemical Property of (1S,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Chemical Property:
  • Vapor Pressure:4.14E-27mmHg at 25°C 
  • Boiling Point:801.5°Cat760mmHg 
  • PKA:3.69±0.50(Predicted) 
  • Flash Point:265.2°C 
  • PSA:209.51000 
  • Density:1.55g/cm3 
  • LogP:1.34120 
  • XLogP3:1.8
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:13
  • Rotatable Bond Count:11
  • Exact Mass:560.15299094
  • Heavy Atom Count:40
  • Complexity:937
Purity/Quality:
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(CC(CC2OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O
  • Isomeric SMILES:COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@H]2[C@H](C[C@](C[C@@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(C(=O)O)O)O
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