Isoalbrassitriol
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Formula: C15H28O3
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Molecular weight: 256.38
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Smiles: CC1(CCCC2(C1CCC(C2(CO)O)(C)O)C)C
Isoalbrassitriol
Names
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Mycotoxin name: Isoalbrassitriol
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First synonym: 110538-22-2
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Synonyms: 110538-22-2,Isoalbrassitriol,DTXSID00911728,A804702,1-(Hydroxymethyl)-2,5,5,8a-tetramethyldecahydronaphthalene-1,2-diol,(1R,2S,4aS,8aS)-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-decalin-1,2-diol,1,2-Naphthalenediol, decahydro-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-, (1R,2S,4aS,8aS)-
Identifiers / External links
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CAS: 110538-22-2
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PubChem CID: 184224
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CompTox Chemicals Dashboard (DTXSID): DTXSID00911728
Structure
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Smiles: CC1(CCCC2(C1CCC(C2(CO)O)(C)O)C)C
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Isomeric smiles: C[C@]12CCCC([C@@H]1CC[C@]([C@@]2(CO)O)(C)O)(C)C
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Inchi: InChI=1S/C15H28O3/c1-12(2)7-5-8-13(3)11(12)6-9-14(4,17)15(13,18)10-16/h11,16-18H,5-10H2,1-4H3/t11-,13-,14-,15-/m0/s1
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Inchikey: BYRITOMZXUTYAC-MXAVVETBSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H28O3
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Molecular weight: 256.38
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Monoisotopic mass: 256.20384475
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Fungi
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Fungi id Species 32 Alternaria brassicae