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

CAS: 7562-61-0 Cat. No.: U107244 Peso molecular: 344.32 Beilstein Registry Number: 96698 Número EC: 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

Descripción general

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

Specifications

Sinónimos

(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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488189796
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189796
• Sonrisas canónicas: 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
• Isómeros SMILES: CC1=C(C(=C2C(=C1O)[C@]3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O
• WGK Alemania: 3
• RTECS: HP5295050
• PubChem CID: 442614
• Peso molecular: 344.32
• Beilstein: 96698
• Reaxy-Rn: 96698

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Punto de fusión (°C): 201-203°C
• Peso molecular: 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