(+)-Usnic acid - ≥98% , CAS No.7562-61-0

CAS: 7562-61-0 Cat. No.: U107244 分子式: C₁₈H₁₆O₇ 分子量: 344.32 Beilstein Registry Number: 96698 EC番号: 231-456-0 PubChem CID: 442614

GRADE & PURITY ≥98%

Synonyms

(9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one | HMS3655H16 | (9aR)-4,8-diacetyl-1,3,9-trihydroxy-2,9a-dimethyl-7-oxo-9a-hydrobenzo[2,1-d]be nzo[b]furan | NCGC00017388-08 | trans,trans-2,4-Nonadienal, >=89%, FG | DTXSID00101

Storage

Protected from light,Room temperature

Shipped In

Normal

概要

(+)-Usnea acid is a bioactive compound that has been found primarily as a secondary metabolite of lichens.

Specifications

同義語

(9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one | HMS3655H16 | (9aR)-4,8-diacetyl-1,3,9-trihydroxy-2,9a-dimethyl-7-oxo-9a-hydrobenzo[2,1-d]be nzo[b]furan | NCGC00017388-08 | trans,trans-2,4-Nonadienal, >=89%, FG | DTXSID00101

仕様と純度

≥98%

申し込み

(+)-Usnea acid has been studied for the following: Mechanism of antimicrobial activity in bacterial cells. Antibiofilming agent against Group A Streptococcus (GAS). Ability as an effective antitoxic compound against Candida albicans. Mechanism of hepatoto

保管条件

Protected from light,Room temperature

入荷

Normal

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

パブケム・シド

488189796

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488189796

カノニカル・スマイル

CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O

IUPAC Name

(9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one

InChIKey

WEYVVCKOOFYHRW-GOSISDBHSA-N

INCHI

1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m1/s1

異性体SMILES

CC1=C(C(=C2C(=C1O)[C@]3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O

WGKドイツ

3

RTECS

HP5295050

PubChem CID

442614

分子量

344.32

Beilstein

96698

Reaxy-Rn

96698

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Acetophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Acetophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetophenones
• Alternative Parents: Coumarans Aryl alkyl ketones Vinylogous acids Polyols Oxacyclic compounds Enols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acetophenone - Coumaran - Aryl ketone - Aryl alkyl ketone - Vinylogous acid - Ketone - Oxacycle - Polyol - Enol - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as acetophenones. These are organic compounds containing the acetophenone structure.
• External Descriptors: Dibenzofurans, griseofulvins, dibenzopyrans and xanthones

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

化学的性質と物理的性質

• 感度: Light sensitive
• 融点（°C）: 201-203°C
• 分子量: 344.300 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 344.09 Da
• Monoisotopic Mass: 344.09 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 734.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, 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 under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 7562-61-0, the molecular formula is C18H16O7, and the molecular weight is 344.32 g/mol. InChIKey WEYVVCKOOFYHRW-GOSISDBHSA-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.