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
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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:
C49 H40 O12
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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