Cas no 202650-88-2 ((E)-Chlorogenic Acid)

(E)-Chlorogenic Acid structure
(E)-Chlorogenic Acid structure
Product Name:(E)-Chlorogenic Acid
CAS No:202650-88-2
MF:C16H18O9
MW:354.308725833893
CID:2038036
PubChem ID:1794427
Update Time:2025-09-27

(E)-Chlorogenic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-caffeoyl-D-quinic acid
    • 3-O-caffeoylquinic acid
    • 5-O-caffeoylquinic acid
    • 5-O-[(E)-caffeoyl]quinic acid
    • chlorogenic acid
    • Chlorogenic acid humate
    • Trans-chlorogenic acid
    • (E)-Chlorogenic Acid
    • SR-01000946600-1
    • CHEMBL284616
    • [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
    • Igasuric acid
    • Chlorogenic acid,
    • Chlorogenic Acid1510
    • Chlorogenic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts)
    • Prestwick_112
    • NSC 407296
    • NSC70861
    • (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid
    • 327-97-9
    • trans-5-O-Caffeoylquinic acid
    • bmse000387
    • CHEBI:95271
    • caffeoylquinic acid
    • Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1alpha,3beta,4alpha,5alpha))-
    • Chlorogenic acid, United States Pharmacopeia (USP) Reference Standard
    • SDCCGMLS-0066467.P001
    • CS-3766
    • DTXSID101318952
    • Quinic acid, 3-caffeoyl-, E-
    • HY-N0055
    • NCGC00168941-05
    • AKOS015955866
    • Chlorogenic acid 10 microg/mL in Acetonitrile
    • Chlorogenic-acid
    • Chlorogenic acid (8CI)
    • C00852
    • CYCLOHEXANECARBOXYLIC ACID, 3-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4,5-TRIHYDROXY-, (1S-(1-.ALPHA.,3-.BETA.,4-.ALPHA.,5-.ALPHA.))-
    • D54CAE3D-CDDA-455D-A28E-77FC9EFE4A43
    • SCHEMBL19466
    • CCG-38471
    • DTXSID3024786
    • 318ADP12RI
    • Chlorogenic acid, European Pharmacopoeia (EP) Reference Standard
    • (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
    • Hlorogenic acid
    • 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate)
    • Chlorogenic acid [MI]
    • SR-01000841185
    • BSPBio_000414
    • Caffeoyl quinic acid
    • Chlorogenic acid, primary pharmaceutical reference standard
    • Acid, 3-Caffeoylquinic
    • AC-6032
    • Prestwick3_000427
    • Chlorogenic acid, >=95% (titration)
    • NSC 70861
    • CHLOROGENIC ACID (USP-RS)
    • CHLOROGENIC ACID [USP-RS]
    • (1S,3R,4R,5R)-3-(((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylicacid
    • Tox21_202495
    • NCGC00168941-02
    • NCGC00168941-03
    • CAS-327-97-9
    • BSPBio_003353
    • Chlorogenic acid 1000 microg/mL in Acetone
    • AS-12284
    • 5-CQA
    • s2280
    • HMS2235F03
    • Heriguard
    • GTPL12477
    • NSC-70861
    • (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
    • Chlorogenic acid (constituent of st. john's wort)
    • (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid
    • SR-01000841185-4
    • Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-
    • NS00015066
    • 3-trans-Caffeoylquinic acid
    • DTXCID604786
    • 3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid
    • SMR000857273
    • Spectrum5_000733
    • Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-
    • 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate
    • NCGC00168941-01
    • CCRIS 1400
    • 5-caffeoyl quinic acid
    • [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
    • edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
    • 202650-88-2
    • CHEBI:16112
    • Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-
    • HMS2096E16
    • Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-
    • (1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid
    • 3-O-caffeoyl-D-quinic acid
    • (1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid
    • Caffetannic acid
    • Cyclohexanecarboxylic acid,3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)-
    • 3 Caffeoylquinic Acid
    • MFCD00003862
    • Caffeylquinic acid
    • BIDD:ER0453
    • Q421964
    • (+)-Chlorogenic acid
    • Chlorogenicacid
    • CP chlorogenic acid
    • trans-Caffeic acid 5-o-D-quinate
    • F16266
    • BDBM50327036
    • 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid
    • NSC-407296
    • BDBM513080
    • Acid, Chlorogenic
    • 3-(3,4-Dihydroxycinnamoyl)quinate
    • HMS1569E16
    • 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid
    • (1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID
    • (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
    • 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid
    • Chlorogenate
    • UNII-318ADP12RI
    • SPECTRUM210800
    • (1S,3R,4R,5R)-3-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid
    • (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid
    • BPBio1_000456
    • 3-Caffeoylquinate
    • 3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid
    • MLS002153805
    • HMS3649E06
    • NCGC00260044-01
    • (1S-(1alpha,3beta,4alpha,5alpha))3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid
    • SR-01000946600
    • NSC407296
    • EINECS 206-325-6
    • 1ST40089
    • BRD-K47114202-001-06-2
    • Chlorogenic acid (constituent of st. john's wort) [DSC]
    • DB12029
    • (1S,3R,4R,5R)-3-(((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid
    • ACon1_000581
    • HMS1923C11
    • Chlorogenic acid [WHO-DD]
    • CWVRJTMFETXNAD-JUHZACGLSA-N
    • cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-
    • edit(1S,3R,4R,5R)-3-(((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid
    • Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-
    • 32CF6D13-8F08-485F-B79E-F8A6AC318E07
    • 3-Caffeoylquinic acid
    • Hlorogenate
    • Prestwick2_000427
    • Quinic acid, 5-caffeoyl-
    • 3-(3,4-Dihydroxycinnamoyl)quinic acid
    • Helianthic acid
    • CHLOROGENIC ACID with HPLC [327-97-9]
    • 5-Caffeoylquinic acid (IUPAC)
    • (+)-5-Caffeoyl quinic acid
    • 5-Caffeoylquinic acid (CAS)
    • 3-Caffeoylquinic acid (IUPAC)
    • Isochlorogenic acid
    • 5-Caffeoylquinic acid
    • 3-Caffeoylquinic acid (CAS)
    • cis-5-caffeoyl-quinic acid
    • [327-97-9]
    • trans-5-O-Caffeoyl-D-quinate
    • Neochlorogenic acid
    • Chlorogenic_acid
    • 206-325-6
    • HY-N0055R
    • Chlorogenic acid hemihydrate
    • Chlorogenic acid, Chiral
    • Chlorogenic acid (Standard)
    • 1,3,4,5-Tetrahydroxy-cyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate)
    • AP-163/40806917
    • BRD-K47114202-001-14-6
    • cyclohexanecarboxylic acid, 3-(3',4'-dihydroxycinnamoyl)oxy-1,4,5-trihydroxy-
    • ALBB-030169
    • FC08630
    • MSK40089
    • Inchi： 1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
    • InChI Key： CWVRJTMFETXNAD-JUHZACGLSA-N
    • SMILES： O(C(/C=C/C1C=CC(=C(C=1)O)O)=O)[C@H]1[C@@H]([C@@H](C[C@@](C(=O)O)(C1)O)O)O

Computed Properties

  • Exact Mass: 354.09508215g/mol
  • Monoisotopic Mass: 354.09508215g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 5
  • Complexity: 534
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.4
  • Topological Polar Surface Area: 165?2

(E)-Chlorogenic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
FUJIFILM
039-20331-10MG
(E)-Chlorogenic Acid
 202650-88-2
10mg
 JPY 30000 2023-09-15

(E)-Chlorogenic Acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Water Solvents: Water ;  10 min, 100 °C
Reference
Investigating the Chemical Changes of Chlorogenic Acids during Coffee Brewing: Conjugate Addition of Water to the Olefinic Moiety of Chlorogenic Acids and Their Quinides
Matei, Marius Febi; Jaiswal, Rakesh; Kuhnert, Nikolai, Journal of Agricultural and Food Chemistry, 2012, 60(49), 12105-12115

Production Method 2

Reaction Conditions
1.1 Reagents: Water Solvents: Water ;  10 min, 100 °C
Reference
Investigating the Chemical Changes of Chlorogenic Acids during Coffee Brewing: Conjugate Addition of Water to the Olefinic Moiety of Chlorogenic Acids and Their Quinides
Matei, Marius Febi; Jaiswal, Rakesh; Kuhnert, Nikolai, Journal of Agricultural and Food Chemistry, 2012, 60(49), 12105-12115

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(E)-Chlorogenic Acid Preparation Products

(E)-Chlorogenic Acid Related Literature

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