Oxirapentyn
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Formula: C18H20O6
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Molecular weight: 332.30
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Smiles: CC(=C)C#CC12C(O1)C3C4(CC(C(O3)(C)C)OC(=O)C)C(C2=O)O4
Oxirapentyn
Names
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Mycotoxin name: Oxirapentyn
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First synonym: Oxirapentyn
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Synonyms: Oxirapentyn,88205-90-7,BRN 4565790,DTXSID401007998,2H,5aH-Bisoxireno(e,h)-1-benzopyran-6(6aH)-one, tetrahydro-3-(acetyloxy)-2,2-dimethyl-6a-(3-methyl-3-buten-1-ynyl)-, (3-alpha,4ar*,5a-alpha,6a-alpha,7a-alpha,7b-beta)-, (-)-,2,2-Dimethyl-6a-(3-methylbut-3-en-1-yn-1-yl)-6-oxohexahydro-2H,5aH-bisoxireno[e,h][1]benzopyran-3-yl acetate
Identifiers / External links
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CAS: 88205-90-7
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PubChem CID: 163557
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ChemSpiderID: 143465
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CompTox Chemicals Dashboard (DTXSID): DTXSID401007998
Structure
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Smiles: CC(=C)C#CC12C(O1)C3C4(CC(C(O3)(C)C)OC(=O)C)C(C2=O)O4
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Isomeric smiles: CC(=C)C#C[C@@]12[C@@H](O1)[C@H]3[C@]4(C[C@H](C(O3)(C)C)OC(=O)C)[C@@H](C2=O)O4
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Inchi: InChI=1S/C18H20O6/c1-9(2)6-7-17-12(20)13-18(23-13)8-11(21-10(3)19)16(4,5)22-15(18)14(17)24-17/h11,13-15H,1,8H2,2-5H3/t11-,13-,14+,15+,17-,18+/m1/s1
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Inchikey: UDLWCNHPUOUNNV-OYPOXQCJSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H20O6
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Molecular weight: 332.30
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Monoisotopic mass: 332.12598835
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Fungi
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Fungi id Species 304 Beauveria felina SANK 13682