Cas no 1899-29-2 (3-Feruloylquinic acid)

3-Feruloylquinic acid is a naturally occurring phenolic compound found in various plants, particularly in coffee beans and certain fruits. It is a derivative of quinic acid esterified with ferulic acid, contributing to its antioxidant and anti-inflammatory properties. This compound is of interest in phytochemical research due to its potential role in modulating oxidative stress and supporting metabolic health. Its structural stability and bioavailability make it a valuable subject for studies on plant-derived bioactive molecules. Analytical standards of 3-feruloylquinic acid are utilized in HPLC and LC-MS for precise quantification in natural product analysis, ensuring reproducibility in research applications.

3-Feruloylquinic acid structure

Product Name:3-Feruloylquinic acid

CAS No:1899-29-2

MF:C₁₇H₂₀O₉

MW:368.335306167603

CID:1383064

PubChem ID:15901362

Update Time:2025-05-28

3-Feruloylquinic acid Chemical and Physical Properties

Names and Identifiers

- (1S,3S,4S,5S)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid
- (1S,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
- 3-O-Feruloylquinic acid
- 3-Feruloylchinasaeure
- 3-feruloylquinic acid
- 5-feruloylquinic acid
- 5-O-feruloyl quinic acid
- (1R)-1alpha,3alpha,4alpha-Trihydroxy-5beta-(3-methoxy-4-hydroxycinnamoyloxy)cyclohexanecarboxylic acid
- PD156336
- FT-0778087
- FT-0778085
- 1899-29-2
- PD150836
- PD166564
- CS-0034327
- MS-25894
- AKOS040760217
- rel-(1R,3S,4S,5S)-1,3,4-Trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid
- HY-N6599
- 3-Ferulylquinic acid
- 5-O-Feruloylquinic acid
- DA-60280
- Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-, (1alpha,3alpha,4alpha,5beta)-
- E87090
- (1alpha,3alpha,4alpha,5beta)-1,3,4-Trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)cyclohexanecarboxylic acid
- 3-Feruloylquinic acid
- Inchi： 1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17-/m0/s1
- InChI Key： RAGZUCNPTLULOL-ZLCRQKIYSA-N
- SMILES： O(C(/C=C/C1C=CC(=C(C=1)OC)O)=O)[C@@H]1[C@H]([C@H](C[C@@](C(=O)O)(C1)O)O)O

Computed Properties

Exact Mass: 368.11100
Monoisotopic Mass: 368.110732
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 5
Hydrogen Bond Acceptor Count: 9
Heavy Atom Count: 26
Rotatable Bond Count: 6
Complexity: 548
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: -0.1
Topological Polar Surface Area: 154
Molecular Weight: 368.3
Surface Charge: 0
Tautomer Count: 5

Experimental Properties

Color/Form: Powder
Density: 1.53±0.1 g/cm3 (20 oC 760 Torr),
Melting Point: 196-197 oC
Boiling Point: 629.4°C at 760 mmHg
Flash Point: 228.6°C
Refractive Index: 1.645
Solubility: Slightly soluble (7.4 g/l) (25 o C),
PSA: 153.75000
LogP: -0.34290

3-Feruloylquinic acid Security Information

Signal Word：Warning
Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

3-Feruloylquinic acid Pricemore >>

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3-Feruloylquinic acid Suppliers

Amadis Chemical Company Limited

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(CAS:1899-29-2)3-Feruloylquinic acid

Order Number:A976185

Stock Status:in Stock

Quantity:5mg

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 16:39

Price ($):234.0

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Product Official Link

Hubei Cuiyuan Biotechnology Co.,Ltd

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(CAS:1899-29-2)3-O-Feruloylquinicacid

Order Number:CRN0736

Stock Status:in stock

Quantity:5mg/20mg/50mg

Purity:≥98%

Pricing Information Last Updated:Friday, 14 March 2025 10:55

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