Acetylstachyflin
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Formula: C25H33NO5
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Molecular weight: 427.50
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Smiles: CC1CCC2C(C(CCC23C1(CC4=C(C=C5C(=C4O3)CNC5=O)O)C)OC(=O)C)(C)C
Acetylstachyflin
Names
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Mycotoxin name: Acetylstachyflin
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First synonym: Acetylstachyflin
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Synonyms: Acetylstachyflin,(hydroxy-tetramethyl-oxo-[?]yl) acetate,3H-Naphtho[1',8a':5,6]pyrano[2,3-e]isoindol-3-one, 11-(acetyloxy)-1,2,6,6a,7,8,9,9a,10,11,12,13-dodecahydro-5-hydroxy-6a,7,10,10-tetramethyl-, (6aR,7S,9aS,11S,13aS)-
Identifiers / External links
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CAS: 189185-59-9
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PubChem CID: 493325
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ChemSpiderID: 431758
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Chemical Entities of Biological Interest (CHEBI): CHEBI:205544
Structure
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Smiles: CC1CCC2C(C(CCC23C1(CC4=C(C=C5C(=C4O3)CNC5=O)O)C)OC(=O)C)(C)C
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Isomeric smiles: C[C@H]1CC[C@@H]2[C@]3([C@@]1(CC4=C(C=C5C(=C4O3)CNC5=O)O)C)CC[C@@H](C2(C)C)OC(=O)C
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Inchi: InChI=1S/C25H33NO5/c1-13-6-7-19-23(3,4)20(30-14(2)27)8-9-25(19)24(13,5)11-16-18(28)10-15-17(21(16)31-25)12-26-22(15)29/h10,13,19-20,28H,6-9,11-12H2,1-5H3,(H,26,29)/t13-,19-,20-,24+,25-/m0/s1
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Inchikey: PYXJLZDIRGAZQG-RGXVLITJSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H33NO5
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Molecular weight: 427.50
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Monoisotopic mass: 427.23587315
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Fungi
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Fungi id Species 1097 Stachybotrys sp. RF-7260