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Albrassitriol

  • Formula: C15H26O3

  • Molecular weight: 254.36

  • Smiles: CC1=CC(C2C(CCCC2(C1(CO)O)C)(C)C)O

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Albrassitriol

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Albrassitriol

  • First synonym: Albrassitriol

  • Synonyms: Albrassitriol,110557-39-6,(1S,4R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol,ACon1_002279,DTXSID30149299,MCULE-5097250056,NCGC00169994-01,NCGC00169994-02,(1R-(1alpha,4alpha,4aalpha,8abeta))-1,4,4a,5,6,7,8,8a-Octahydro-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-1,4-naphthalenediol,1,4,4a,5,6,7,8,8a-Octahydro-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-1,4-naphthalenediol (1R-(1alpha,4alpha,4aalpha,8abeta))-,BRD-K59993276-001-01-6,1,4-Naphthalenediol, 1,4,4a,5,6,7,8,8a-octahydro-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-, (1R-(1alpha,4alpha,4aalpha,8abeta))-

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Structure

  • Smiles: CC1=CC(C2C(CCCC2(C1(CO)O)C)(C)C)O

  • Isomeric smiles: CC1=C[C@@H]([C@@H]2[C@@]([C@]1(CO)O)(CCCC2(C)C)C)O

  • Inchi: InChI=1S/C15H26O3/c1-10-8-11(17)12-13(2,3)6-5-7-14(12,4)15(10,18)9-16/h8,11-12,16-18H,5-7,9H2,1-4H3/t11-,12-,14-,15+/m0/s1

  • Inchikey: RWPFZPBMMIWKKY-NZBPQXDJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H26O3

  • Molecular weight: 254.36

  • Monoisotopic mass: 254.18819469

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