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Zearalenone Quality Control Sample,From corn - 56.32±10.37ppb, high purity , CAS No.36455-70-6
This product contains 56.32 ± 10.37 μg aflatoxins in 1kg corn flour
Basic Description
Synonyms
cis-Zearalenone | (S,E)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione | 36455-70-6 | (S,Z)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione | cis Zearalenone | MBMQEIFV
Specifications & Purity
56.32±10.37ppb
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolides and analogues
Subclass
Zearalenones
Intermediate Tree Nodes
Not available
Direct Parent
Zearalenones
Alternative Parents
Hydroxybenzoic acid derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Lactones Cyclic ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Zearalenone-skeleton - Dihydroxybenzoic acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Vinylogous acid - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as zearalenones. These are macrolides which contains a fourteen-member lactone fused to 1,3-dihydroxybenzene.
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
Pubchem Sid
488198107
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488198107
IUPAC Name
(4S,12Z)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
INCHI
InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3-/t12-/m0/s1
InChIKey
MBMQEIFVQACCCH-MIBUCLJRSA-N
Smiles
CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1
Isomeric SMILES
C[C@H]1CCCC(=O)CCC/C=C\C2=C(C(=CC(=C2)O)O)C(=O)O1
PubChem CID
12445020
Molecular Weight
318.147
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Molecular Weight
318.400 g/mol
XLogP3
3.600
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
318.147 Da
Monoisotopic Mass
318.147 Da
Topological Polar Surface Area
83.800 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
445.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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D2304340