Zearalenone

C18H22O5CAS 17924-92-4318.37 g/mol

OOHOHOO
AlkeneEsterKetoneLactonePhenol

Properties

Molecular formula
C18H22O5
Molar mass
318.37 g/mol
Exact mass
318.1467 Da
Melting point
164.5 °C
logP
3.58Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0
Stereocentres
Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
17924-92-4
SMILES
C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1
InChIKey
MBMQEIFVQACCCH-QBODLPLBSA-N
InChI
InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3S,11E)-
  • 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (S)-(-)-
  • 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, [S-(E)]-
  • (3S,11E)-3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione
  • (-)-Zearalenone
  • trans-Zearalenone
  • Mycotoxin F 2
  • 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-β-resorcylic acid lactone
  • (S)-Zearalenone
  • Toxin F2
  • (10S)-Zearalenone
  • Zenone
  • (S)-(-)-Zearalenone

Work with Zearalenone

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Elsewhere