Chem
J-GLOBAL ID：200907075056856315   Nikkaji number：J857.825G

Botrallin

ボトラリン
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： C16H14O7
Molecular formula furigana： C16-H14-O7
Molecular weight： 318.281
InChI： InChI=1S/C16H14O7/c1-16-6-10(22-3)13(18)14(19)12(16)8-4-7(21-2)5-9(17)11(8)15(20)23-16/h4-6,17,19H,1-3H3
InChI key： WNZWXVOIYRJRSM-UHFFFAOYSA-N
SMILES： COC1=CC2(C)OC(=O)c3c(O)cc(OC)cc3C2=C(O)C1=O
Systematic name  (4)：
  • 1,7-ジヒドロキシ-3,9-ジメトキシ-4a-メチル-4aH-ジベンゾ[b,d]ピラン-2,6-ジオン
  • 1,7-ジヒドロキシ-3,9-ジメトキシ-4a-メチル-6H-ジベンゾ[b,d]ピラン-2(4aH),6-ジオン
  • 1,7-ジヒドロキシ-3,9-ジメトキシ-4a-メチル-2H,4aH,6H-ベンゾ[c]クロメン-2,6-ジオン
  • 1,7-dihydroxy-3,9-dimethoxy-4a-methyl-2H,4aH,6H-benzo[c]chromene-2,6-dione
Other name (4)：
  • 1,7-Dihydroxy-3,9-dimethoxy-4a-methyl-4aH-dibenzo[b,d]pyran-2,6-dione
  • 1,7-Dihydroxy-3,9-dimethoxy-4a-methyl-6H-dibenzo[b,d]pyran-2(4aH),6-dione
  • ボトラリン
  • Botrallin
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