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Rutin hydrate - analytical standard，≥98%, high purity , CAS No.207671-50-9
Basic Description
Synonyms
Rutin trihydrate, United States Pharmacopeia (USP) Reference Standard | HY-W013075 | Rutin trihydrate 1000 microg/mL in Acetonitrile | (dimethylamino)-acetyl chloride, hydrochloride | Syl-off 164 | 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-l-mannopyra
Specifications & Purity
analytical standard, ≥98%
Storage Temp
Protected from light
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides
Direct Parent
Flavonoid-3-O-glycosides
Alternative Parents
3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones O-glycosyl compounds Chromones Disaccharides Catechols Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Secondary alcohols Acetals Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3-o-glycoside - Hydroxyflavonoid - Flavone - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - O-glycosyl compound - Glycosyl compound - Disaccharide - Chromone - 1-benzopyran - Benzopyran - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Names and Identifiers
Pubchem Sid
504768349
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504768349
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate
INCHI
InChI=1S/C27H30O16.3H2O/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;;;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;3*1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;;/m0.../s1
InChIKey
NLLBWFFSGHKUSY-JPRRWYCFSA-N
Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O
WGK Germany
3
Alternate CAS
153-18-4
PubChem CID
16218542
Molecular Weight
610.52
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light sensitive.
Melt Point(°C)
195°C
Molecular Weight
664.600 g/mol
XLogP3
Hydrogen Bond Donor Count
13
Hydrogen Bond Acceptor Count
19
Rotatable Bond Count
6
Exact Mass
664.185 Da
Monoisotopic Mass
664.185 Da
Topological Polar Surface Area
269.000 Ų
Heavy Atom Count
46
Formal Charge
0
Complexity
1020.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
10
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
4
Citations of This Product
1.
Dongwei Wei, Wuyong Sun, Mingren Huang, Xiaoning Zeng, Yun Chen, Zhiliang Yuan.
(2023)
Phenolic Characterization and Antioxidant Activity of Chrysanthemum indicum and Opisthopappus Shih during Different Growth Stages. CHEMISTRY & BIODIVERSITY,
20
(7):
(e202300370).
2.
Zhi-Ang Liu, Ya-Nan Zuo, Yinghui Xia, Jing Sun, Shuyun Zhu.
(2022)
Enhanced detection of ascorbic acid with cascaded fluorescence recovery of a dual-nanoquencher system. Analytical Methods,
14
(37):
(3632-3637).
3.
Huang Hui, Xie Shuqian, Deng Lu, Yuan Jie, Yue Ruirui, Xu Jingkun.
(2022)
Fabrication of rGO/MXene-Pd/rGO hierarchical framework as high-performance electrochemical sensing platform for luteolin detection. MICROCHIMICA ACTA,
189
(2):
(1-10).
4.
Yue Chen, Likang Qin, Anyan Wen, Muhammad Mazhar, Hezhu Wang, Yong Zhu.
(2020)
Three-solvent extracting method comprehensively evaluates phenolics profile and antioxidant activities of Tartary buckwheat. JOURNAL OF FOOD PROCESSING AND PRESERVATION,
45
(1):
(e15020).
5.
Mengshuo Li, Gang Hu, Yangyang Chen.
(2016)
Evaluation of the antioxidant capacity of natural polyphenolic compounds using a macrocyclic Ni-(II) complex-catalysed Briggs–Rauscher reaction. FOOD CHEMISTRY,
197
(987).
6.
Songbai Liu, Yuanqing Fu, Si Nian.
(2014)
Buffering colour fluctuation of purple sweet potato anthocyanins to acidity variation by surfactants. FOOD CHEMISTRY,
162
(16).
7.
Huijie Zhang, Mingqin Kang, Hanqi Zhang, Yong Yu.
(2014)
Matrix solid phase dispersion extraction for determination of flavonoids in the flower of Chrysanthemum morifolium Ramat. by capillary zone electrophoresis. Analytical Methods,
6
(3):
(766-773).
8.
Junmei Fan, Ruitao Zhu, Wei Han, Hongfei Han, Liping Ding.
(2024)
A multi-wavelength cross-reactive fluorescent sensor ensemble for fingerprinting flavonoids in serum and urine. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,
310
(123893).
9.
Xiaoling Wu, Wenkang Wei, Haimen Lin, Tong Wu, Wenzhen Zheng, Guorong Chen, Weiang Luo, Conghui Yuan, Birong Zeng, Yiting Xu, Lizong Dai.
(2024)
Flexible and stretchable photodetectors constructed by integrating photosensor, substrate, and electrode in one polymer matrix. CHEMICAL ENGINEERING JOURNAL,
490
(151534).
10.
Md. Abdul Khaleque, Md. Romzan Ali, Mohamed Aly Saad Aly, Md. Ikram Hossain, Kim Han Tan, Md. Abu Zaed, Rahman Saidur, Md. Mahbubur Rahman, Nabisab Mujawar Mubarak, Md. Zaved Hossain Khan.
(2024)
Highly sensitive electrochemical detection of ciprofloxacin using MXene (Ti3C2Tx)/poly (rutin) composite as an electrode material. DIAMOND AND RELATED MATERIALS,
150
(111749).
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10 Citations
K2223714