Cochliodone a
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Formula: C34H38O12
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Molecular weight: 638.70
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Smiles: CC1CCCC2(O1)CC3=C(C(=O)C(C(=O)C3=CO2)(C)OC(=O)C)C4=C5CC6(CCCC(O6)C)OC=C5C(=O)C(C4=O)(C)OC(=O)C
Cochliodone a
Names
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Mycotoxin name: Cochliodone a
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First synonym: Cochliodone a
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Synonyms: Cochliodone A
Identifiers / External links
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CAS: 1072931-48-6
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PubChem CID: 102516358
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ChemSpiderID: 28285685
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Chemical Entities of Biological Interest (CHEBI): CHEBI:199603
Structure
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Smiles: CC1CCCC2(O1)CC3=C(C(=O)C(C(=O)C3=CO2)(C)OC(=O)C)C4=C5CC6(CCCC(O6)C)OC=C5C(=O)C(C4=O)(C)OC(=O)C
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Isomeric smiles: C[C@@H]1CCC[C@@]2(O1)CC3=C(C(=O)[C@](C(=O)C3=CO2)(C)OC(=O)C)C4=C5C[C@]6(CCC[C@H](O6)C)OC=C5C(=O)[C@](C4=O)(C)OC(=O)C
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Inchi: InChI=1S/C34H38O12/c1-17-9-7-11-33(43-17)13-21-23(15-41-33)27(37)31(5,45-19(3)35)29(39)25(21)26-22-14-34(12-8-10-18(2)44-34)42-16-24(22)28(38)32(6,30(26)40)46-20(4)36/h15-18H,7-14H2,1-6H3/t17-,18-,31-,32+,33-,34-/m1/s1
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Inchikey: XDRDZGUQBNNXLG-SQNVWISRSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C34H38O12
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Molecular weight: 638.70
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Monoisotopic mass: 638.23632664
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Fungi
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Fungi id Species