L-696,474
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Formula: C30H39NO4
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Molecular weight: 477.60
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Smiles: CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1)C)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O
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Type: Cytochalasan
L-696,474
Names
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Mycotoxin name: L-696,474
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First synonym: None
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Synonyms: 18-Dehydroxycytochalasin H,141994-72-1,[(3E,9E)-16-Benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate,L-696,474,L 696474,SCHEMBL15531832,DTXSID701018077,1H-Cycloundec(d)isoindol-1-one, 15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-6-hydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-, (3R*,3aS*,4R*,6R*,6aS*,7E,10R*,12R*,13E,15S*,15aS*)-
Identifiers / External links
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CAS: 141994-72-1
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PubChem CID: 6436190
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ChemSpiderID: 4976027
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ChEMBL: CHEMBL15531832
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CompTox Chemicals Dashboard (DTXSID): DTXSID701018077
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SCHEMBL: SCHEMBL15531832
Structure
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Smiles: CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1)C)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O
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Isomeric smiles: CC1C/C=C/C2C(C(=C)C(C3C2(C(/C=C/C(C1)C)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O
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Inchi: InChI=1S/C30H39NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-15,18-20,24-28,33H,4,10,16-17H2,1-3,5H3,(H,31,34)/b13-9+,15-14+
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Inchikey: JVHIPYJQMFNCEK-BBXOWAOSSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C30H39NO4
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Molecular weight: 477.60
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Monoisotopic mass: 477.28790873
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Fungi
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Fungi id Species