7beta,18-dihydroxykaurenolide
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Formula: C20H28O4
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Molecular weight: 332.40
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Smiles: CC12CCCC3(C1C(C(C45C2CCC(C4)C(=C)C5)O)OC3=O)CO
7beta,18-dihydroxykaurenolide
Names
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Mycotoxin name: 7beta,18-dihydroxykaurenolide
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First synonym: 7beta,18-dihydroxykaurenolide
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Synonyms: 7beta,18-Dihydroxykaurenolide,CHEBI:182585,ZINC34332671,NCGC00380801-01,NCGC00380801-01_C20H28O4_7,19-Dihydroxy-6,18-epoxykaur-16-en-18-one,(1S,2S,5R,8R,9R,10R,13R,17S)-9-hydroxy-13-(hydroxymethyl)-1-methyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one
Identifiers / External links
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PubChem CID: 14635441
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ChemSpiderID: 546077
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Chemical Entities of Biological Interest (CHEBI): CHEBI:182585
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CompTox Chemicals Dashboard (DTXSID): DTXSID001312268
Structure
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Smiles: CC12CCCC3(C1C(C(C45C2CCC(C4)C(=C)C5)O)OC3=O)CO
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Isomeric smiles: C[C@@]12CCC[C@@]3([C@H]1[C@H]([C@@H]([C@]45[C@H]2CC[C@H](C4)C(=C)C5)O)OC3=O)CO
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Inchi: InChI=1S/C20H28O4/c1-11-8-20-9-12(11)4-5-13(20)18(2)6-3-7-19(10-21)15(18)14(16(20)22)24-17(19)23/h12-16,21-22H,1,3-10H2,2H3/t12-,13+,14-,15+,16+,18+,19+,20+/m1/s1
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Inchikey: RDUNXXWNAKBVER-AJHBJYRYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H28O4
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Molecular weight: 332.40
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Monoisotopic mass: 332.19875937
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Fungi
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Fungi id Species 587 Gibberella fujikuroi