Chem
J-GLOBAL ID:200907026663122230   Nikkaji number:J2.353.596C

3-[(1E,3S,5R,6R,8R)-3,8-Dihydroxy-5,6-epoxy-1-nonene-1-yl]-6-methoxy-8-hydroxy-1H-2-benzopyran-1-one

3-[(1E,3S,5R,6R,8R)-3,8-ジヒドロキシ-5,6-エポキシ-1-ノネン-1-イル]-6-メトキシ-8-ヒドロキシ-1H-2-ベンゾピラン-1-オン
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: C19H22O7
Molecular formula furigana: C19-H22-O7
Molecular weight: 362.378
InChI: InChI=1S/C19H22O7/c1-10(20)5-16-17(26-16)8-12(21)3-4-13-6-11-7-14(24-2)9-15(22)18(11)19(23)25-13/h3-4,6-7,9-10,12,16-17,20-22H,5,8H2,1-2H3/b4-3+/t10-,12-,16-,17-/m1/s1
InChI key: XGBDRADUXKNAMY-MCDIIMPBSA-N
SMILES: COc1cc(O)c2c(c1)cc(/C=C/[C@@H](O)C[C@H]1O[C@@H]1C[C@@H](C)O)oc2=O
Systematic name  (3):
  • 3-[(1E,3S,5R,6R,8R)-3,8-ジヒドロキシ-5,6-エポキシ-1-ノネン-1-イル]-6-メトキシ-8-ヒドロキシ-1H-2-ベンゾピラン-1-オン
  • 8-ヒドロキシ-3-[(1E,3S)-3-ヒドロキシ-4-[(2R,3R)-3-[(2R)-2-ヒドロキシプロピル]オキシラン-2-イル]ブタ-1-エン-1-イル]-6-メトキシ-1H-イソクロメン-1-オン
  • 8-hydroxy-3-[(1E,3S)-3-hydroxy-4-[(2R,3R)-3-[(2R)-2-hydroxypropyl]oxiran-2-yl]but-1-en-1-yl]-6-methoxy-1H-isochromen-1-one
Other name (1):
  • 3-[(1E,3S,5R,6R,8R)-3,8-Dihydroxy-5,6-epoxy-1-nonene-1-yl]-6-methoxy-8-hydroxy-1H-2-benzopyran-1-one
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