Chem
J-GLOBAL ID：200907000728624540   Nikkaji number：J1.203.620E

Dihydro-nogalonic acid methyl ester

ジヒドロノガロン酸メチルエステル
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： C21H18O8
Molecular formula furigana： C21-H18-O8
Molecular weight： 398.367
InChI： InChI=1S/C21H18O8/c1-9(22)6-14(24)16-10(8-15(25)29-2)7-12-18(20(16)27)21(28)17-11(19(12)26)4-3-5-13(17)23/h3-5,7,9,22-23,27H,6,8H2,1-2H3
InChI key： PUVXBJLNMVCYJW-UHFFFAOYSA-N
SMILES： COC(=O)Cc1cc2C(=O)c3cccc(O)c3C(=O)c2c(O)c1C(=O)CC(C)O
Systematic name  (5)：
  • 3-(1-オキソ-3-ヒドロキシブチル)-4,5-ジヒドロキシ-9,10-ジヒドロ-9,10-ジオキソアントラセン-2-酢酸メチル
  • 3-(3-ヒドロキシブチリル)-4,5-ジヒドロキシ-9,10-ジオキソ-9,10-ジヒドロアントラセン-2-酢酸メチル
  • 1,8-ジヒドロキシ-9,10-ジヒドロ-9,10-ジオキソ-2-(3-ヒドロキシ-1-オキソブチル)アントラセン-3-酢酸メチル
  • メチル 2-[4,5-ジヒドロキシ-3-(3-ヒドロキシブタノイル)-9,10-ジオキソ-9,10-ジヒドロアントラセン-2-イル]アセタート
  • methyl 2-[4,5-dihydroxy-3-(3-hydroxybutanoyl)-9,10-dioxo-9,10-dihydroanthracen-2-yl]acetate
Other name (5)：
  • 3-(1-Oxo-3-hydroxybutyl)-4,5-dihydroxy-9,10-dihydro-9,10-dioxoanthracene-2-acetic acid methyl ester
  • 3-(3-Hydroxybutyryl)-4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-acetic acid methyl ester
  • 1,8-Dihydroxy-9,10-dihydro-9,10-dioxo-2-(3-hydroxy-1-oxobutyl)anthracene-3-acetic acid methyl ester
  • Dihydro-nogalonic acid methyl ester
  • ジヒドロノガロン酸メチルエステル
KEGG COMPOUND： C12418
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