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3-O-{2-O-[6-O-(p-hydroxyl-E-coumaroyl)-glucosyl]-(1-2)rhamnosyl kaempferol - 98%, high purity , CAS No.111957-48-3

COA

Grade & Purity:

≥98%

Cas Number: 111957-48-3
PubChem CID: 11664897

In stock

Item Number

O664101

Grouped product items
SKU	Size	Availability	Price	Qty
O664101-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$666.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Flavonoids
    - Subclass Flavonoid glycosides
      - Level5 Flavonoid O-glycosides
        Level6 Flavonoid-3-O-glycosides

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	5-hydroxyflavonoids 7-hydroxyflavonoids 4'-hydroxyflavonoids Flavones Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives Chromones O-glycosyl compounds Disaccharides Styrenes Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Oxanes Heteroaromatic compounds Vinylogous acids Enoate esters Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Flavonoid-3-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Coumaric acid ester - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Chromone - Disaccharide - Benzopyran - 1-benzopyran - Styrene - Pyranone - Fatty acid ester - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyran - Oxane - Fatty acyl - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Polyol - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - 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	disaccharide derivative - cinnamate ester - glycosyloxyflavone
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
INCHI	InChI=1S/C36H36O17/c1-15-26(42)30(46)34(53-35-31(47)29(45)27(43)23(51-35)14-48-24(41)11-4-16-2-7-18(37)8-3-16)36(49-15)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23+,26-,27+,29-,30+,31+,34+,35-,36-/m0/s1
InChIKey	KAJMZANRKFVVKV-RGXKZFLBSA-N
Smiles	CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)COC(=O)C=CC6=CC=C(C=C6)O)O)O)O)O)O
Isomeric SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)O)O
Alternate CAS	111957-48-3
PubChem CID	11664897

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	740.700 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	10
Exact Mass	740.195 Da
Monoisotopic Mass	740.195 Da
Topological Polar Surface Area	272.000 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	1320.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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