B-Zearalenol

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Properties Simple | Detailed

Formula C18H24O5
IUPAC Name (2e,7s,11s)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-13-one
Molecular Mass 320.380 g·mol−1
Heat of Formation -956.3 ± 16.7 kJ·mol−1
Dipole Moment 1.55 ± 1.08 D
Volume 390.84 Å 3
Surface Area 321.2 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,8s)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraen-2-one
  • (4s,8s,12e)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraen-2-one
  • .beta.-zearalenol
  • 1h-2-benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3s,7s)-
  • 1h-2-benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3s,7s,11e)-
  • 1h-2-benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3s-(3r*,7r*,11e))-
  • 2,4-dihydroxy-6-(6beta,10-dihydroxy-trans-1-undecenyl)benzoic acid mu-lactone
  • beta-trans-zearalenol
CAS Number(s)
  • 71030-11-0
InChIKey FPQFYIAXQDXNOR-PMRAARRBSA-N
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DOI
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