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Altertoxin I (Dihydroalterperylenol) - ≥98%, high purity , CAS No.56258-32-3
Basic Description
Specifications & Purity
≥98%
Storage Temp
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.
Product Description
Altertoxin I is a natural mycotoxin first isolated from fungi of the genus Alternaria.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Perylenequinones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Perylenequinones
Alternative Parents
Phenanthrenes and derivatives Tetralins Naphthalenes Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Tertiary alcohols Secondary alcohols Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Perylenequinone - Phenanthrene - Naphthalene - Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Tertiary alcohol - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as perylenequinones. These are heterocyclic compounds characterized by two 8-hydroxy-1,4-dihydronaphthalen-1-one moieties joined together one or two CC-bonds.
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.
Names and Identifiers
IUPAC Name
(12S,12aS,12bR)-4,9,12,12b-tetrahydroxy-2,11,12,12a-tetrahydro-1H-perylene-3,10-dione
INCHI
InChI=1S/C20H16O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-4,14,19,21-22,25-26H,5-7H2/t14-,19+,20-/m0/s1
InChIKey
GJIALGLHOBXNAT-KPOBHBOGSA-N
Smiles
C1CC2(C3C(CC(=O)C4=C(C=CC(=C34)C5=C2C(=C(C=C5)O)C1=O)O)O)O
Isomeric SMILES
C1C[C@]2([C@@H]3[C@H](CC(=O)C4=C(C=CC(=C34)C5=C2C(=C(C=C5)O)C1=O)O)O)O
Alternate CAS
56258-32-3
PubChem CID
104860
MeSH Entry Terms
1,2,7,8,12b-pentahydro-1,4,6b,10-tetrahydroxyperylene-3,9-dione;altertoxin I;altertoxin-1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
352.300 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
352.095 Da
Monoisotopic Mass
352.095 Da
Topological Polar Surface Area
115.000 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
648.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
3
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
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