25700
Chlorogenic acid hemihydrate
≥98.0% (T)
Synonym(s):
3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid
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About This Item
Empirical Formula (Hill Notation):
C16H18O9 · 0.5H2O
CAS Number:
Molecular Weight:
363.32
EC Number:
206-325-6
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
3039251
MDL number:
assay
≥98.0% (T)
optical activity
[α]20/D −40.5±1°, c = 2.8% in ethanol
impurities
≤4% water
mp
206-210 °C (dec.)
SMILES string
O.O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O.O[C@@H]3C[C@](O)(C[C@@H](OC(=O)\C=C\c4ccc(O)c(O)c4)[C@@H]3O)C(O)=O
InChI
1S/2C16H18O9.H2O/c2*17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21;/h2*1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23);1H2/b2*4-2+;/t2*11-,12-,14-,16+;/m11./s1
InChI key
KMUJVRDSAIKKTF-MTDLMOCGSA-N
Gene Information
rat ... G6pc(25634)
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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Valentina Sinisi et al.
Planta medica, 83(7), 615-623 (2016-11-03)
Chlorogenic acids are secondary metabolites in diverse plants. Some chlorogenic acids extracted from traditional medicinal plants are known for their healing properties, e.g., against viral infections. Also, green coffee beans are a rich source of chlorogenic acids, with 5-
Mayra Sousa Gomes et al.
Archives of oral biology, 111, 104664-104664 (2020-01-27)
Spondias mombin has been used in folk medicine to treat inflammation in the oral cavity. This study aimed to evaluate the antioxidant and anti-inflammatory activity of S. mombin extract in an oral mucositis experimental model. Male hamsters were orally pre-treated
Agnieszka Kicel et al.
Antioxidants (Basel, Switzerland), 9(1) (2020-01-17)
Cotoneaster plants are sources of traditional medicines and dietary products, with health benefits resulting from their phenolic contents and antioxidant activity. In this work, active markers of the leaves of C. bullatus and C. zabelii were characterized and evaluated in