Chem
J-GLOBAL ID：200907052498570593   Nikkaji number：J1.430.707I

Ledebouriellol

レデボウリエロール
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： C20H22O7
Molecular formula furigana： C20-H22-O7
Molecular weight： 374.389
InChI： InChI=1S/C20H22O7/c1-5-10(2)19(24)26-16-7-12-14(27-20(16,3)4)8-15-17(18(12)23)13(22)6-11(9-21)25-15/h5-6,8,16,21,23H,7,9H2,1-4H3/b10-5-/t16-/m0/s1
InChI key： KKDRQZCQNSHBHY-AVFOEOQDSA-N
SMILES： C/C=C(/C)\C(=O)O[C@H]1Cc2c(O)c3c(cc2OC1(C)C)oc(CO)cc3=O
Systematic name  (4)：
  • (7S)-2-(ヒドロキシメチル)-5-ヒドロキシ-7α-(アンゲロイルオキシ)-8,8-ジメチル-7,8-ジヒドロ-4H,6H-ベンゾ[1,2-b:5,4-b′]ジピラン-4-オン
  • 2-ヒドロキシメチル-8,8-ジメチル-5-ヒドロキシ-7α-(アンゲロイルオキシ)-7,8-ジヒドロ-4H,6H-ベンゾ[1,2-b:5,4-b′]ジピラン-4-オン
  • (3S)-5-ヒドロキシ-8-(ヒドロキシメチル)-2,2-ジメチル-6-オキソ-2H,3H,4H,6H-ピラノ[3,2-g]クロメン-3-イル (2Z)-2-メチルブタ-2-エノアート
  • (3S)-5-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-2H,3H,4H,6H-pyrano[3,2-g]chromen-3-yl (2Z)-2-methylbut-2-enoate
Other name (4)：
  • (7S)-2-(Hydroxymethyl)-5-hydroxy-7α-(angeloyloxy)-8,8-dimethyl-7,8-dihydro-4H,6H-benzo[1,2-b:5,4-b′]dipyran-4-one
  • レデボウリエロール
  • Ledebouriellol
  • 2-Hydroxymethyl-8,8-dimethyl-5-hydroxy-7α-(angeloyloxy)-7,8-dihydro-4H,6H-benzo[1,2-b:5,4-b′]dipyran-4-one
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