Chem
J-GLOBAL ID：200907021662907763   Nikkaji number：J1.085.640J

Diazaphilonic acid

ジアザフィロン酸
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： C42H32O18
Molecular formula furigana： C42-H32-O18
Molecular weight： 824.700
InChI： InChI=1S/C42H32O18/c1-15-5-18(43)9-24(45)30(15)39(55)59-41(3)28(47)8-17-7-26(57-13-22(17)35(41)49)34-32-20-12-29(48)42(4,60-40(56)31-16(2)6-19(44)10-25(31)46)36(50)23(20)14-58-27(32)11-21(37(51)52)33(34)38(53)54/h5-10,12-14,21,33-34,43-46H,11H2,1-4H3,(H,51,52)(H,53,54)
InChI key： AVQJCGDWAMKGEN-UHFFFAOYSA-N
SMILES： Cc1cc(O)cc(O)c1C(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)C1C(C(CC2=C1C1=CC(=O)C(C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)C1=CO2)C(=O)O)C(=O)O
Systematic name  (3)：
  • 2,3,4,7,8,9-ヘキサヒドロ-7,9-ジオキソ-8-メチル-8-[(2,4-ジヒドロキシ-6-メチルベンゾイル)オキシ]-1-[7-[(2,4-ジヒドロキシ-6-メチルベンゾイル)オキシ]6,8-ジオキソ-7-メチル-6H-2-ベンゾピラン-3-イル]-1H-ジベンゾ[b,d]ピラン-2,3-ジカルボン酸
  • 8-(2,4-ジヒドロキシ-6-メチルベンゾイルオキシ)-1-[7-(2,4-ジヒドロキシ-6-メチルベンゾイルオキシ)-7-メチル-6,8-ジオキソ-7,8-ジヒドロ-6H-イソクロメン-3-イル]-8-メチル-7,9-ジオキソ-1H,2H,3H,4H,7H,8H,9H-シクロヘキサ[c]クロメン-2,3-ジカルボン酸
  • 8-(2,4-dihydroxy-6-methylbenzoyloxy)-1-[7-(2,4-dihydroxy-6-methylbenzoyloxy)-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-3-yl]-8-methyl-7,9-dioxo-1H,2H,3H,4H,7H,8H,9H-cyclohexa[c]chromene-2,3-dicarboxylic acid
Other name (3)：
  • 2,3,4,7,8,9-Hexahydro-7,9-dioxo-8-methyl-8-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-1-[7-[(2,4-dihydroxy-6-methylbenzoyl)oxy]6,8-dioxo-7-methyl-6H-2-benzopyran-3-yl]-1H-dibenzo[b,d]pyran-2,3-dicarboxylic acid
  • ジアザフィロン酸
  • Diazaphilonic acid
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