Chem
J-GLOBAL ID：201107045929392894   Nikkaji number：J2.923.277F

1,4β,8-Trihydroxy-9-oxo-2,3,4,4a-tetrahydro-9H-xanthene-4aβ-carboxylic acid methyl ester

1,4β,8-トリヒドロキシ-9-オキソ-2,3,4,4a-テトラヒドロ-9H-キサンテン-4aβ-カルボン酸メチル
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： C15H14O7
Molecular formula furigana： C15-H14-O7
Molecular weight： 306.270
InChI： InChI=1S/C15H14O7/c1-21-14(20)15-10(18)6-5-8(17)12(15)13(19)11-7(16)3-2-4-9(11)22-15/h2-4,10,16-18H,5-6H2,1H3/t10-,15+/m1/s1
InChI key： VNBLFQUHAUVMPS-BMIGLBTASA-N
SMILES： COC(=O)[C@@]12Oc3cccc(O)c3C(=O)C1=C(O)CC[C@H]2O
Systematic name  (3)：
  • 1,4β,8-トリヒドロキシ-9-オキソ-2,3,4,4a-テトラヒドロ-9H-キサンテン-4aβ-カルボン酸メチル
  • メチル (4R,4aR)-1,4,8-トリヒドロキシ-9-オキソ-3,4,4a,9-テトラヒドロ-2H-キサンテン-4a-カルボキシラート
  • methyl (4R,4aR)-1,4,8-trihydroxy-9-oxo-3,4,4a,9-tetrahydro-2H-xanthene-4a-carboxylate
Other name (1)：
  • 1,4β,8-Trihydroxy-9-oxo-2,3,4,4a-tetrahydro-9H-xanthene-4aβ-carboxylic acid methyl ester
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