Aurofusarin - ≥98% , CAS No.13191-64-5

CAS: 13191-64-5 Cat. No.: A275174 Molecular Weight: 570.46

GRADE & PURITY ≥98%

Synonyms

A807820 | UNII-EYG3R23SI1 | Airofusorin | CHEBI:177751 | DTXSID50157250 | J-006084 | Aurofusarin | EYG3R23SI1 | 5,5'-Dihydroxy-8,8'-dimethoxy-2,2'-dimethyl-4H,4'H-[7,7'-bibenzo[g]chromene]-4,4',6,6',9,9'-hexaone | 5-hydroxy-7-(5-hydroxy-8-methoxy-2-methyl

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

A807820 | UNII-EYG3R23SI1 | Airofusorin | CHEBI:177751 | DTXSID50157250 | J-006084 | Aurofusarin | EYG3R23SI1 | 5, 5'-Dihydroxy-8, 8'-dimethoxy-2, 2'-dimethyl-4H, 4'H-[7, 7'-bibenzo[g]chromene]-4, 4', 6, 6', 9, 9'-hexaone | 5-hydroxy-7-(5-hydroxy-8-methoxy-2-methyl

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Mycotoxin. Antibiotic agent. Dimeric naphthoquinone. Red/yellow pigment. Shows toxic effects in vivo. Orally active.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=CC6=C(C(=O)C=C(O6)C)C(=C5C4=O)O)OC
• IUPAC Name: 5-hydroxy-7-(5-hydroxy-8-methoxy-2-methyl-4,6,9-trioxobenzo[g]chromen-7-yl)-8-methoxy-2-methylbenzo[g]chromene-4,6,9-trione
• InChIKey: VSWWTKVILIZDGX-UHFFFAOYSA-N
• INCHI: 1S/C30H18O12/c1-9-5-13(31)19-15(41-9)7-11-17(25(19)35)27(37)21(29(39-3)23(11)33)22-28(38)18-12(24(34)30(22)40-4)8-16-20(26(18)36)14(32)6-10(2)42-16/h5-8,35-36H,1-4H3
• Isomeric SMILES: CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=CC6=C(C(=O)C=C(O6)C)C(=C5C4=O)O)OC
• Molecular Weight: 570.46
• Reaxy-Rn: 381786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=381786&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Naphthopyrans
      • Subclass Naphthopyranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Naphthopyrans
• Subclass: Naphthopyranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthopyranones
• Alternative Parents: Naphthoquinones Chromones Quinones Aryl ketones Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Vinylogous esters Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthopyranone - Naphthoquinone - Chromone - Benzopyran - Naphthalene - 1-benzopyran - Aryl ketone - Quinone - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Vinylogous ester - Vinylogous acid - Heteroaromatic compound - Ketone - Oxacycle - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthopyranones. These are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system.
• 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO
• Molecular Weight: 570.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 570.08 Da
• Monoisotopic Mass: 570.08 Da
• Topological Polar Surface Area: 180.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1370.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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