Chem
J-GLOBAL ID:201707000940940454   Nikkaji number:J3.607.568F

2,6,10-Tri(3,4,5-trimethoxyphenyl)-12-hydroxy-4H,8H-dibenzo[cd,mn]pyrene-4,8-dione

2,6,10-トリ(3,4,5-トリメトキシフェニル)-12-ヒドロキシ-4H,8H-ジベンゾ[cd,mn]ピレン-4,8-ジオン
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: C49H40O12
Molecular formula furigana: C49-H40-O12
Molecular weight: 820.847
InChI: InChI=1S/C49H40O12/c1-53-34-16-25(17-35(54-2)47(34)59-7)22-10-28-40-29(11-22)45(51)31-13-24(27-20-38(57-5)49(61-9)39(21-27)58-6)15-33-42(31)43(40)41-30(44(28)50)12-23(14-32(41)46(33)52)26-18-36(55-3)48(60-8)37(19-26)56-4/h10-21,50H,1-9H3
InChI key: MDLLLOWDLKCYIM-UHFFFAOYSA-N
SMILES: COc1cc(cc(OC)c1OC)c1cc2c(O)c3cc(cc4c3c3c2c(c1)c(=O)c1cc(cc(c31)c4=O)c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(OC)c(OC)c1
Systematic name  (3):
  • 2,6,10-トリ(3,4,5-トリメトキシフェニル)-12-ヒドロキシ-4H,8H-ジベンゾ[cd,mn]ピレン-4,8-ジオン
  • 22-ヒドロキシ-5,11,17-トリス(3,4,5-トリメトキシフェニル)ヘキサシクロ[11.7.1.13,19.02,7.09,21.015,20]ドコサ-1,3(22),4,6,9(21),10,12,15(20),16,18-デカエン-8,14-ジオン
  • 22-hydroxy-5,11,17-tris(3,4,5-trimethoxyphenyl)hexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3(22),4,6,9(21),10,12,15(20),16,18-decaene-8,14-dione
Other name (1):
  • 2,6,10-Tri(3,4,5-trimethoxyphenyl)-12-hydroxy-4H,8H-dibenzo[cd,mn]pyrene-4,8-dione
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