Chem
J-GLOBAL ID：200907081847661682   Nikkaji number：J806.482B

4-Methyl-7β-(2,4,5-trimethoxy-3-methylbenzyl)-8-oxo-9-benzyl-8,9-dihydro-5aαH-1,3,5-trioxa-6,9-diaza-2H-cyclopent[b]anthracene-6(7H)-carboxylic acid isopropyl ester

4-メチル-7β-(2,4,5-トリメトキシ-3-メチルベンジル)-8-オキソ-9-ベンジル-8,9-ジヒドロ-5aαH-1,3,5-トリオキサ-6,9-ジアザ-2H-シクロペンタ[b]アントラセン-6(7H)-カルボン酸イソプロピル
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： C35H38N2O9
Molecular formula furigana： C35-H38-N2-O9
Molecular weight： 630.694
InChI： InChI=1S/C35H38N2O9/c1-19(2)45-35(39)37-25(13-23-15-27(40-5)31(42-7)20(3)29(23)41-6)33(38)36(17-22-11-9-8-10-12-22)26-14-24-16-28-32(44-18-43-28)21(4)30(24)46-34(26)37/h8-12,14-16,19,25,34H,13,17-18H2,1-7H3/t25-,34+/m0/s1
InChI key： KXYAPCUTMQWHRW-WNSROMTISA-N
SMILES： COc1cc(C[C@@H]2N([C@@H]3Oc4c(C)c5OCOc5cc4C=C3N(Cc3ccccc3)C2=O)C(=O)OC(C)C)c(OC)c(C)c1OC
Systematic name  (3)：
  • 4-メチル-7β-(2,4,5-トリメトキシ-3-メチルベンジル)-8-オキソ-9-ベンジル-8,9-ジヒドロ-5aαH-1,3,5-トリオキサ-6,9-ジアザ-2H-シクロペンタ[b]アントラセン-6(7H)-カルボン酸イソプロピル
  • プロパン-2-イル (3R,5S)-7-ベンジル-17-メチル-6-オキソ-5-[(2,4,5-トリメトキシ-3-メチルフェニル)メチル]-2,13,15-トリオキサ-4,7-ジアザテトラシクロ[8.7.0.03,8.012,16]ヘプタデカ-1(17),8,10,12(16)-テトラエン-4-カルボキシラート
  • propan-2-yl (3R,5S)-7-benzyl-17-methyl-6-oxo-5-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-2,13,15-trioxa-4,7-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene-4-carboxylate
Other name (1)：
  • 4-Methyl-7β-(2,4,5-trimethoxy-3-methylbenzyl)-8-oxo-9-benzyl-8,9-dihydro-5aαH-1,3,5-trioxa-6,9-diaza-2H-cyclopent[b]anthracene-6(7H)-carboxylic acid isopropyl ester
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