Aspochalasin a
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Formula: C24H33NO4
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Molecular weight: 399.50
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Smiles: CC1C2C(NC(=O)C23C(C=C(CCC(=O)C(=O)CCC3=O)C)C=C1C)CC(C)C
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Type: Cytochalasan
Aspochalasin a
Names
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Mycotoxin name: Aspochalasin a
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First synonym: 72363-48-5
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Synonyms: 72363-48-5,Asposterol,Aspochalasin A,UNII-6PGL7Q6HDT,6PGL7Q6HDT,1H-Cycloundec(d)isoindole-1,11,12,15(2H)-tetrone, 3,3a,4,6a,9,10,13,14-octahydro-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,15aS)-
Identifiers / External links
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CAS: 72363-48-5
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PubChem CID: 6440468
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ChemSpiderID: 4944729
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US FDA (UNII): UNII-6PGL7Q6HDT
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Wikidata (wiki): Q6
Structure
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Smiles: CC1C2C(NC(=O)C23C(C=C(CCC(=O)C(=O)CCC3=O)C)C=C1C)CC(C)C
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Isomeric smiles: C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(\CCC(=O)C(=O)CCC3=O)/C)C=C1C)CC(C)C
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Inchi: InChI=1S/C24H33NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h11-13,16-18,22H,6-10H2,1-5H3,(H,25,29)/b14-11-/t16-,17+,18+,22+,24-/m1/s1
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Inchikey: BPFQGYYSWWQTFO-VIMWNUOGSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C24H33NO4
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Molecular weight: 399.50
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Monoisotopic mass: 399.24095853
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Fungi
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Fungi id Species 171 Aspergillus microcysticus