Penicitrinol a
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Formula: C23H26O5
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Molecular weight: 382.40
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Smiles: CC1C(OC2C3=C(C=C(C(=C13)C)O)OC4=C5C(=C(C(=C24)O)C)C(C(O5)C)C)C
Penicitrinol a
Names
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Mycotoxin name: Penicitrinol a
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First synonym: Penicitrinol a
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Synonyms: penicitrinol A,Penisitrinol A,CHEMBL457490
Identifiers / External links
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CAS: 944413-34-7
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PubChem CID: 44567617
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ChemSpiderID: 23340847
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ChEMBL: CHEMBL457490
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Chemical Entities of Biological Interest (CHEBI): CHEBI:209561
Structure
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Smiles: CC1C(OC2C3=C(C=C(C(=C13)C)O)OC4=C5C(=C(C(=C24)O)C)C(C(O5)C)C)C
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Isomeric smiles: C[C@@H]1[C@H](O[C@@H]2C3=C(C=C(C(=C13)C)O)OC4=C5C(=C(C(=C24)O)C)[C@@H]([C@H](O5)C)C)C
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Inchi: InChI=1S/C23H26O5/c1-8-12(5)26-21-18-15(7-14(24)10(3)16(8)18)28-23-19(21)20(25)11(4)17-9(2)13(6)27-22(17)23/h7-9,12-13,21,24-25H,1-6H3/t8-,9-,12-,13-,21-/m1/s1
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Inchikey: CRGUXPKRGKYBJY-ZUZBTREBSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H26O5
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Molecular weight: 382.40
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Monoisotopic mass: 382.17802393
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Fungi
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Fungi id Species 953 Penicillium sp. H9318