Cas no 154418-15-2 (Methyl 3-O-feruloylquinate)

Methyl 3-O-feruloylquinate is a naturally occurring ester derivative formed from the conjugation of ferulic acid and quinic acid, with a methyl group substitution. This compound is of interest due to its potential bioactive properties, including antioxidant and anti-inflammatory effects, attributed to the presence of the feruloyl moiety. It is structurally related to chlorogenic acid derivatives, which are widely studied for their role in plant defense mechanisms and human health benefits. The methyl ester modification enhances its stability and lipophilicity, making it suitable for research in pharmaceutical and nutraceutical applications. Its well-defined structure allows for precise investigation into structure-activity relationships in biological systems.

Methyl 3-O-feruloylquinate structure

Product Name:Methyl 3-O-feruloylquinate

CAS No:154418-15-2

MF:C₁₈H₂₂O₉

MW:382.361886501312

CID:2087237

PubChem ID:24813764

Update Time:2025-05-21

Methyl 3-O-feruloylquinate Chemical and Physical Properties

Names and Identifiers

- Methyl 3-O-feruloylquinate
- (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid methyl ester
- 154418-15-2
- HY-126418
- methyl (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
- (1S,3R,4R,5R)-Methyl 1,3,4-trihydroxy-5-(((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexanecarboxylate
- FS-7760
- CS-0103709
- AKOS040762043
- DA-75468
- Inchi： 1S/C18H22O9/c1-25-13-7-10(3-5-11(13)19)4-6-15(21)27-14-9-18(24,17(23)26-2)8-12(20)16(14)22/h3-7,12,14,16,19-20,22,24H,8-9H2,1-2H3/b6-4+/t12-,14-,16-,18+/m1/s1
- InChI Key： CPYDMLXRLHYXSV-JVCGYDKASA-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)OC)(C1)O)O)O

Computed Properties

Exact Mass: 382.12638228g/mol
Monoisotopic Mass: 382.12638228g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 4
Hydrogen Bond Acceptor Count: 9
Heavy Atom Count: 27
Rotatable Bond Count: 7
Complexity: 563
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: 0.2
Topological Polar Surface Area: 143?2

Experimental Properties

Color/Form: Powder
Density: 1.44±0.1 g/cm3 (20 oC 760 Torr),
Solubility: Slightly soluble (5 g/l) (25 o C),

Methyl 3-O-feruloylquinate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	M95010-5mg	Methyl 3-O-feruloylquinate	154418-15-2		5mg	￥3628.0	2021-09-08
SHANG HAI TAO SHU Biotechnology Co., Ltd.	TN4531-100 mg	Methyl 3-O-feruloylquinate	154418-15-2		100MG	￥735.00	2022-04-26
TargetMol Chemicals	TN4531-100 mg	Methyl 3-O-feruloylquinate	154418-15-2	98%	100MG	￥ 735	2023-07-10
TargetMol Chemicals	TN4531-100mg	Methyl 3-O-feruloylquinate	154418-15-2	98%	100mg	￥ 735	2023-09-15
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