Chem
J-GLOBAL ID：200907055708586284   Nikkaji number：J1.185.717E

(-)-Mitorubrinal

(-)-ミトルブリナール
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： C21H16O8
Molecular formula furigana： C21-H16-O8
Molecular weight： 396.351
InChI： InChI=1S/C21H16O8/c1-11-6-13(23)9-16(24)18(11)20(27)29-21(2)17(25)8-12-7-14(4-3-5-22)28-10-15(12)19(21)26/h3-10,23-24H,1-2H3/b4-3+/t21-/m1/s1
InChI key： SAZKXUITORBGED-YEFOHOTDSA-N
SMILES： Cc1cc(O)cc(O)c1C(=O)O[C@]1(C)C(=O)C=C2C=C(OC=C2C1=O)/C=C/C=O
Systematic name  (3)：
  • 2,4-ジヒドロキシ-6-メチル安息香酸(R)-7,8-ジヒドロ-7-メチル-6,8-ジオキソ-3-[(E)-3-オキソ-1-プロペニル]-6H-2-ベンゾピラン-7β-イル
  • (7R)-7-メチル-6,8-ジオキソ-3-[(1E)-3-オキソプロパ-1-エン-1-イル]-7,8-ジヒドロ-6H-イソクロメン-7-イル 2,4-ジヒドロキシ-6-メチルベンゾアート
  • (7R)-7-methyl-6,8-dioxo-3-[(1E)-3-oxoprop-1-en-1-yl]-7,8-dihydro-6H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate
Other name (3)：
  • 2,4-Dihydroxy-6-methylbenzoic acid (R)-7,8-dihydro-7-methyl-6,8-dioxo-3-[(E)-3-oxo-1-propenyl]-6H-2-benzopyran-7β-yl ester
  • (-)-ミトルブリナール
  • (-)-Mitorubrinal
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