Massonianoside B - ≥97% , CAS No.188300-19-8

CAS: 188300-19-8 Cat. No.: M993751 PubChem CID: 76311962

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: CC1C(C(C(C(O1)OC2=C(C=C(C=C2)C3C(C4=C(O3)C(=CC(=C4)CCCO)O)CO)OC)O)O)O
• IUPAC Name: (2S,3R,4R,5R,6S)-2-[4-[(2S,3R)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-methyloxane-3,4,5-triol
• InChIKey: PHHIEOZUONPPQY-ROQFLNLZSA-N
• INCHI: 1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23+,25-/m0/s1
• SMILES isoméricas: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)[C@@H]3[C@H](C4=C(O3)C(=CC(=C4)CCCO)O)CO)OC)O)O)O
• PubChem CID: 76311962
• Termos de entrada MeSH: (2S,3R,4R,5R,6S)-2-(4-((2S,3R)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl)-2-methoxyphenoxy)-6-methyloxane-3,4,5-triol;4-((2S,3R)-7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl)-2-methoxyph

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe 2-arylbenzofuran flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 2-arylbenzofuran flavonoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-arylbenzofuran flavonoids
• Alternative Parents: Lignan glycosides Phenolic glycosides Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Hexoses O-glycosyl compounds Benzofurans Coumarans Phenoxy compounds Anisoles Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Secondary alcohols Oxacyclic compounds Polyols Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-arylbenzofuran flavonoid - Lignan glycoside - Neolignan skeleton - Norlignan skeleton - Phenolic glycoside - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Hexose monosaccharide - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Coumaran - Benzofuran - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxane - Monosaccharide - Secondary alcohol - Organoheterocyclic compound - Ether - Acetal - Polyol - Oxacycle - Organic oxygen compound - Alcohol - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.
• 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.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Peso molecular: 492.500 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 492.2 Da
• Monoisotopic Mass: 492.2 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 666.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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

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 room temperature.

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

The CAS Number is 188300-19-8. InChIKey PHHIEOZUONPPQY-ROQFLNLZSA-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.