4-O-Feruloylquinic acid

4-Feruloylquinic acid · 4-O-feruloyl-D-quinic acid · 4-Feruoylquinic acid · 4-O-Feruloylquinic acid · 4-O-Feruloylquinic acid, 10 mM in DMSO · 4-O-Feruloylquinic Acid DISCONTINUED. Please see F308985. · 4-Feruloylquinic acid,inhibit,4 O Feruloylquinic acid,Inhibitor,4OFeruloylquinic acid · (1S,3R,4S,5R)-1,3,5-Trihydroxy-4-((3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid

https://huagongshe.com/de/chemical/10177048

Molekülstruktur von 4-O-Feruloylquinic acid

Identifikatoren & physikalische Daten

CAS No.	2613-86-7
Summenformel	C17H20O9
Durchschnittliche Molmasse	368,3 g/mol
Monoisotopische Masse	368,11073222 g/mol
SMILES	COc1cc(/C=C/C(=O)OC2[C@H](O)CC(O)(C(=O)O)C[C@H]2O)ccc1O
InChIKey	VTMFDSJJVNQXLT-XQCMRRNBSA-N
PubChem CID	10177048
ChEBI	CHEBI:176888
DTXSID	DTXSID201369910

Chemische & physikalische Eigenschaften

XLogP	-0,1
Polarare Oberfläche (TPSA)	154
H-Brücken-Donoren	5
H-Brücken-Akzeptoren	9
Frei drehbare Bindungen	6
Schwere Atome	26
Formalladung	0
Komplexität	534
Schmelzpunkt	195-196 °C(Solv: water (7732-18-5))
Siedepunkt	656.1±55.0 °C(Predicted)
Dichte	1.53±0.1 g/cm3(Predicted)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	4.07±0.50(Predicted)
Aggregatzustand	Solid
Farbe	White to off-white
Hauptanwendungen	food and beveragespharmaceutical
InChI	InChI=1/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/t11-,12-,15-,17+/s3
InChIKey	VTMFDSJJVNQXLT-YYJRJVKZNA-N
SMILES	O([C@@H]1[C@@H](C[C@@](O)(C(=O)O)C[C@H]1O)O)C(=O)C=CC1C=CC(O)=C(OC)C=1 \|&1:1,2,4,10,r\|

Sicherheit & Vorschriften

Wassergefährdungsklasse (WGK)	WGK 3
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

4-O-Feruloylquinic Acid is a methanolic extract of Murraya Paniculata leaves that exhibits antioxidant and antimicrobial properties against fungi, gram positive and gram negative bacteria.