Zearalenone

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Properties Simple | Detailed

Formula C18H22O5
IUPAC Name (2e,11s)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
Molecular Mass 318.364 g·mol−1
Heat of Formation -925.0 ± 16.7 kJ·mol−1
Dipole Moment 1.72 ± 1.08 D
Volume 383.69 Å 3
Surface Area 316.8 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,11e)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
  • (4s)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
  • (4s)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-quinone
  • (4s,12e)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione
  • (4s,12e)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-quinone
  • 1h-2-benzoxacyclotetradecin-1,7(8h)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3s)-
  • bcbcmap01_000203
  • lmpk01000020
  • sdccgmls-0066858.p001
  • smp1_000322
  • zearalenone solution
  • zon
CAS Number(s)
  • 17924-92-4
InChIKey MBMQEIFVQACCCH-QBODLPLBSA-N
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