Beta Zearalenol

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Properties Simple | Detailed

Formula C18H24O5
IUPAC Name (4r,8r,12e)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
Molecular Mass 320.380 g·mol−1
Heat of Formation -955.1 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 392.63 Å 3
Surface Area 320.5 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,7s,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one
  • (4r,8r,12e)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
  • oprea1_221797
InChIKey FPQFYIAXQDXNOR-SXIUOJOQSA-N
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