Chem
J-GLOBAL ID:200907048653549701   Nikkaji number:J1.572.693H

2-O-Methylzearalenone

2-O-メチルゼアラレノン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C19H24O5
Molecular formula furigana: C19-H24-O5
Molecular weight: 332.396
InChI: InChI=1S/C19H24O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h4,8,11-13,21H,3,5-7,9-10H2,1-2H3/b8-4+/t13-/m0/s1
InChI key: ICQQTCYRFZNFGZ-GBVBUYCNSA-N
SMILES: COc1cc(O)cc2/C=C/CCCC(=O)CCC[C@H](C)OC(=O)c12
Systematic name  (3):
  • (3S,11E)-3,4,5,6,9,10-ヘキサヒドロ-14-ヒドロキシ-3-メチル-16-メトキシ-1H-2-ベンゾオキサシクロテトラデシン-1,7(8H)-ジオン
  • (3S,11E)-14-ヒドロキシ-16-メトキシ-3-メチル-3,4,5,6,7,8,9,10-オクタヒドロ-1H-2-ベンゾオキサシクロテトラデシン-1,7-ジオン
  • (3S,11E)-14-hydroxy-16-methoxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,7-dione
Other name (3):
  • (3S,11E)-3,4,5,6,9,10-Hexahydro-14-hydroxy-3-methyl-16-methoxy-1H-2-benzoxacyclotetradecin-1,7(8H)-dione
  • 2-O-メチルゼアラレノン
  • 2-O-Methylzearalenone
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