Aloeresin A - ≥97% , CAS No.74545-79-2

CAS: 74545-79-2 Cat. No.: A329557 Fórmula: C₂₈H₂₈O₁₁ Peso molecular: 540.52 PubChem CID: 5317657

GRAU & PUREZA ≥97%

Synonyms

AKOS040734417 | CHEBI:81333 | Aloeresin A [MI] | UNII-73899319HU | Q27155272 | 7-Hydroxy-8-(2-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one | [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydro

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Aloeresin A acts as an inhibitor of α-glucosidase that can be converted to p-couramic and aloesin. α-glucosidase is a glucosidase that acts on 1,4-α bonds.

Metabolite of aloesin；α-Glucosidase inhibitor；Antioxidant. Free radical scavenger.

Especificações

Sinónimos

AKOS040734417 | CHEBI:81333 | Aloeresin A [MI] | UNII-73899319HU | Q27155272 | 7-Hydroxy-8-(2-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one | [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydro

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)O

IUPAC Name

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

InChIKey

QACRJXSXSVUOFZ-HINKZNOMSA-N

INCHI

1S/C28H28O11/c1-13-9-18(32)23(26-22(13)19(33)11-17(37-26)10-14(2)30)27-28(25(36)24(35)20(12-29)38-27)39-21(34)8-5-15-3-6-16(31)7-4-15/h3-9,11,20,24-25,27-29,31-32,35-36H,10,12H2,1-2H3/b8-5+/t20-,24-,25+,27+,28-/m1/s1

SMILES isoméricas

CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O

PubChem CID

5317657

Peso molecular

540.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives Hexoses C-glycosyl compounds Chromones Styrenes Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Ketones Dialkyl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenolic glycoside - Coumaric acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hexose monosaccharide - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - C-glycosyl compound - Chromone - Benzopyran - 1-benzopyran - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Pyranone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Monosaccharide - Oxane - Pyran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Ketone - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• External Descriptors: cinnamate ester

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.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO, and 100% ethanol.
• Sensibilidade: Light sensitive
• Índice de refração: n20D1.68 (Predicted)
• Ponto de ebulição (°C): 768.85° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 148-150° C
• Peso molecular: 540.500 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 540.163 Da
• Monoisotopic Mass: 540.163 Da
• Topological Polar Surface Area: 180.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 969.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 74545-79-2, the molecular formula is C28H28O11, and the molecular weight is 540.52 g/mol. InChIKey QACRJXSXSVUOFZ-HINKZNOMSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.