Chem
J-GLOBAL ID:200907084494554711   Nikkaji number:J1.666.149J

ChaetoquadrinE

ケトクアドリンE
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: C17H22O6
Molecular formula furigana: C17-H22-O6
Molecular weight: 322.357
InChI: InChI=1S/C17H22O6/c1-9(18)6-11(19)4-5-12-14(22-3)8-15-16(17(12)21)13(20)7-10(2)23-15/h7-9,11,18-19,21H,4-6H2,1-3H3/t9-,11-/m0/s1
InChI key: KGNHXSDZEFTYDT-ONGXEEELSA-N
SMILES: COc1cc2oc(C)cc(=O)c2c(O)c1CC[C@H](O)C[C@H](C)O
Systematic name  (4):
  • 2-メチル-5-ヒドロキシ-6-[(3S,5S)-3,5-ジヒドロキシヘキシル]-7-メトキシ-4H-1-ベンゾピラン-4-オン
  • 5-ヒドロキシ-6-[(3S,5S)-3,5-ジヒドロキシヘキシル]-7-メトキシ-2-メチル-4H-1-ベンゾピラン-4-オン
  • 6-[(3S,5S)-3,5-ジヒドロキシヘキシル]-5-ヒドロキシ-7-メトキシ-2-メチル-4H-クロメン-4-オン
  • 6-[(3S,5S)-3,5-dihydroxyhexyl]-5-hydroxy-7-methoxy-2-methyl-4H-chromen-4-one
Other name (4):
  • 2-Methyl-5-hydroxy-6-[(3S,5S)-3,5-dihydroxyhexyl]-7-methoxy-4H-1-benzopyran-4-one
  • ケトクアドリンE
  • ChaetoquadrinE
  • 5-Hydroxy-6-[(3S,5S)-3,5-dihydroxyhexyl]-7-methoxy-2-methyl-4H-1-benzopyran-4-one
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