Chem
J-GLOBAL ID：200907035319943674   Nikkaji number：J1.430.705B

Divaricatol

ジバリカトール
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： C17H18O7
Molecular formula furigana： C17-H18-O7
Molecular weight： 334.324
InChI： InChI=1S/C17H18O7/c1-8(19)22-14-5-10-12(24-17(14,2)3)6-13-15(16(10)21)11(20)4-9(7-18)23-13/h4,6,14,18,21H,5,7H2,1-3H3/t14-/m0/s1
InChI key： DJEFKGJBMQEDCR-AWEZNQCLSA-N
SMILES： CC(=O)O[C@H]1Cc2c(O)c3c(cc2OC1(C)C)oc(CO)cc3=O
Systematic name  (3)：
  • (7S)-2-(ヒドロキシメチル)-5-ヒドロキシ-7α-アセトキシ-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
  • (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 アセタート
  • (3S)-5-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-2H,3H,4H,6H-pyrano[3,2-g]chromen-3-yl acetate
Other name (3)：
  • (7S)-2-(Hydroxymethyl)-5-hydroxy-7α-acetoxy-8,8-dimethyl-7,8-dihydro-4H,6H-benzo[1,2-b:5,4-b′]dipyran-4-one
  • ジバリカトール
  • Divaricatol
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