Chem
J-GLOBAL ID：200907071315625828   Nikkaji number：J2.021.555K

EQ-5

(10aR)-1,5β-ジヒドロキシ-3-メチル-9-オキソ-5,8,8aα,10a-テトラヒドロ-9H-キサンテン-10aα-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： C16H16O6
Molecular formula furigana： C16-H16-O6
Molecular weight： 304.298
InChI： InChI=1S/C16H16O6/c1-8-6-10(17)13-11(7-8)22-16(15(20)21-2)9(14(13)19)4-3-5-12(16)18/h3,5-7,9,12,17-18H,4H2,1-2H3/t9-,12-,16+/m0/s1
InChI key： SQQVLPAZXRNECF-RVIYUIFMSA-N
SMILES： COC(=O)[C@@]12Oc3cc(C)cc(O)c3C(=O)[C@@H]1CC=C[C@@H]2O
Systematic name  (4)：
  • (4S,4aR,9aR)-1,4,4a,9a-テトラヒドロ-4,8-ジヒドロキシ-6-メチル-9-オキソ-9H-キサンテン-4a-カルボン酸メチル
  • (10aR)-1,5β-ジヒドロキシ-3-メチル-9-オキソ-5,8,8aα,10a-テトラヒドロ-9H-キサンテン-10aα-カルボン酸メチル
  • メチル (4S,4aR,9aR)-4,8-ジヒドロキシ-6-メチル-9-オキソ-4,4a,9,9a-テトラヒドロ-1H-キサンテン-4a-カルボキシラート
  • methyl (4S,4aR,9aR)-4,8-dihydroxy-6-methyl-9-oxo-4,4a,9,9a-tetrahydro-1H-xanthene-4a-carboxylate
Other name (3)：
  • (4S,4aR,9aR)-1,4,4a,9a-Tetrahydro-4,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-4a-carboxylic acid methyl ester
  • EQ-5
  • (10aR)-1,5β-Dihydroxy-3-methyl-9-oxo-5,8,8aα,10a-tetrahydro-9H-xanthene-10aα-carboxylic acid methyl ester
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