Variecolol
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Formula: C25H38O2
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Molecular weight: 370.60
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Smiles: CC1CC2(C3C1CC4(CCC5(CCC(C5C4CC=C3CO2)C(=C)C)C)C)O
Variecolol
Names
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Mycotoxin name: Variecolol
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First synonym: Variecolol
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Synonyms: Variecolol,CHEMBL484427,Valiecolol,isopropenyl(trimethyl)[?]ol,BDBM50260107,Q15427951,253664-30-1,2aH-3-Oxapentaleno[1',6':4,5,6]cyclooct[1,2-e]inden-2a-ol, 1,2,4,6,6a,6b,7,8,9,9a,10,11,11a,12,12a,12b-hexadecahydro-1,9a,11a-trimethyl-7-(1-methylethenyl)-, (1S,2aR,6aS,6bS,7S,9aS,11aR,12aS,12bR)-
Identifiers / External links
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CAS: 253664-30-1
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PubChem CID: 6480206
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ChEMBL: CHEMBL484427
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Wikidata (wiki): Q15427951
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CompTox Chemicals Dashboard (DTXSID): DTXSID101028125
Structure
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Smiles: CC1CC2(C3C1CC4(CCC5(CCC(C5C4CC=C3CO2)C(=C)C)C)C)O
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Isomeric smiles: C[C@H]1C[C@@]2([C@@H]/3[C@H]1C[C@]4(CC[C@@]5(CC[C@@H]([C@H]5[C@@H]4C/C=C3/CO2)C(=C)C)C)C)O
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Inchi: InChI=1S/C25H38O2/c1-15(2)18-8-9-23(4)10-11-24(5)13-19-16(3)12-25(26)21(19)17(14-27-25)6-7-20(24)22(18)23/h6,16,18-22,26H,1,7-14H2,2-5H3/b17-6-/t16-,18+,19-,20-,21-,22-,23-,24+,25+/m0/s1
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Inchikey: KKLLBIFNYVWKON-HYWMTKJFSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H38O2
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Molecular weight: 370.60
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Monoisotopic mass: 370.287180451
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Fungi
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Fungi id Species 469 Emericella purpurea