- Investigating the Chemical Changes of Chlorogenic Acids during Coffee Brewing: Conjugate Addition of Water to the Olefinic Moiety of Chlorogenic Acids and Their QuinidesMatei, Marius Febi; Jaiswal, Rakesh; Kuhnert, Nikolai, Journal of Agricultural and Food Chemistry, 2012, 60(49), 12105-12115
Cas no 15016-60-1 (Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)-)
![Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)- structure](https://ossimg.kuujia.com/scimg/15500/15016-60-1x500.png)
15016-60-1 structure
Product Name:Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)-
CAS No:15016-60-1
MF:C16H18O9
MW:354.308725833893
CID:96524
PubChem ID:1794425
Update Time:2025-04-18
Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)-
- 5-O-(Z)-caffeoylquinic acid
- cis-5-O-caffeoylquinic acid
- (Z)-chlorogenic acid
- Cyclohexanecarboxylic acid,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-
- (1S,3R,4R,5R)-3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
- UNII-037SV4IVWA
- SCHEMBL13015035
- 15016-60-1
- DTXSID601315272
- NSC70861
- 037SV4IVWA
- CHLOROGENIC ACID Z-FORM [MI]
- A88BCFF0-2903-4B78-BBF5-5133683EC2C5
- CHEBI:75489
- Chlorogenic acid, (Z)-
- cis-chlorogenic acid
- Cis-5-Caffeoylquinic acid
- Cyclohexanecarboxylic acid, 3-(((2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-
- 5-O-cis-caffeoylquinic acid
- Quinic acid, 3-caffeoyl-, Z-
- NSC407296
- Q27145345
- (1S,3R,4R,5R)-3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid
- (1S,3R,4R,5R)-3-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
-
- 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-XYXZIBEBSA-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
Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)- Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Water Solvents: Water ; 10 min, 100 °C
Reference
Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)- Raw materials
Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)- Preparation Products
- Neochlorogenic acid (906-33-2)
- Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)- (15016-60-1)
- (E)-Chlorogenic Acid (202650-88-2)
- (-)-chlorogenic acid (32719-11-2)
- Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βS)- (1372766-27-2)
- 4-caffeoylquinic acid (87099-76-1)
- Benzenepropanoic acid, β,3,4-trihydroxy-, (1α,2R,4α,6R)-4-carboxy-2,4,6-trihydroxycyclohexyl ester, (βR)- (1372557-77-1)
Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
15016-60-1 (Cyclohexanecarboxylic acid,3-[[(2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)-) Related Products
- 1241-87-8(1-Caffeoylquinic acid)
- 19870-46-3(1,3-Dicaffeoylquinic acid)
- 14534-61-3(3,4-Dicaffeoylquinic acid)
- 2450-53-5(Isochlorogenic acid A)
- 906-33-2(Neochlorogenic acid)
- 89919-62-0(3,5-O-Dicaffeoylquinic acid)
- 327-97-9(Chlorogenic acid)
- 1182-34-9(1,4-Dicaffeoylquinic acid)
- 29708-87-0(Cyclohexanecarboxylic acid,3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,methyl ester, (1S,3R,4R,5R)-)
- 905-99-7(4-O-Caffeoylquinic Acid)
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