.α.-Zearalenol

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Properties Simple | Detailed

Formula C18H24O5
IUPAC Name (2e,7r,11s)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraen-13-one
Molecular Mass 320.380 g·mol−1
Heat of Formation -971.0 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 390.96 Å 3
Surface Area 323.52 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,7r,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one
  • (4s,8r,12e)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
  • 1h-2-benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3s,7r)-
  • 1h-2-benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3s,7r,11e)-
  • 1h-2-benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3s-(3r*,7s*,11e))-
  • 2,4-dihydroxy-6-(6alpha,10-dihydroxy-trans-1-undecenyl)benzoic acid mu-lactone
  • a-zearalenol
  • alpha zearalenol
  • alpha-zearalenol
  • sgcut00105
  • to_000090
  • trans-zearalenol
CAS Number(s)
  • 36455-72-8
  • 40790-12-3
InChIKey FPQFYIAXQDXNOR-QDKLYSGJSA-N
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