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Scutellarin methylester - 97%, high purity , CAS No.119262-68-9

COA

Grade & Purity:

≥97%

Cas Number: 119262-68-9
PubChem CID: 14162695

In stock

Item Number

S664602

Grouped product items
SKU	Size	Availability	Price	Qty
S664602-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$666.90

Basic Description

Specifications & Purity	≥97%
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 O-glucuronides
        Level7 Flavonoid-7-O-glucuronides

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Flavonoids
Subclass	Flavonoid glycosides
Intermediate Tree Nodes	Flavonoid O-glycosides - Flavonoid O-glucuronides
Direct Parent	Flavonoid-7-O-glucuronides
Alternative Parents	Flavonoid-7-O-glycosides 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids Flavones Phenolic glycosides O-glucuronides Hexoses O-glycosyl compounds Chromones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Beta hydroxy acids and derivatives Oxanes Benzene and substituted derivatives Methyl esters Vinylogous acids Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Polyols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 6-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Oxane - Monocyclic benzene moiety - Pyran - Monosaccharide - Benzenoid - Hydroxy acid - Vinylogous acid - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Oxacycle - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position.
External Descriptors	Not available
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	methyl (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
INCHI	InChI=1S/C22H20O12/c1-31-21(30)20-18(28)17(27)19(29)22(34-20)33-13-7-12-14(16(26)15(13)25)10(24)6-11(32-12)8-2-4-9(23)5-3-8/h2-7,17-20,22-23,25-29H,1H3/t17-,18-,19+,20-,22+/m0/s1
InChIKey	LNIVUWPCHRNJLG-SXFAUFNYSA-N
Smiles	COC(=O)C1C(C(C(C(O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O)O
Isomeric SMILES	COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O)O
PubChem CID	14162695

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	476.400 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	476.095 Da
Monoisotopic Mass	476.095 Da
Topological Polar Surface Area	192.000 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	793.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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	1

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