Chem
J-GLOBAL ID:200907043487780260   Nikkaji number:J2.727.714D

5,5-Diethyl-6,8,10-trioxo-7β-methyl-9-phenyl-1,2,3,4,4aβ,5,6,9,10,10bα-decahydro-7H,8H-7a,9,10a-triazacyclohepta[cd]-s-indacene-2α,4α-dicarboxylic acid dimethyl ester

5,5-ジエチル-6,8,10-トリオキソ-7β-メチル-9-フェニル-1,2,3,4,4aβ,5,6,9,10,10bα-デカヒドロ-7H,8H-7a,9,10a-トリアザシクロヘプタ[cd]-s-インダセン-2α,4α-ジカルボン酸ジメチル
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: C28H33N3O7
Molecular formula furigana: C28-H33-N3-O7
Molecular weight: 523.586
InChI: InChI=1S/C28H33N3O7/c1-6-28(7-2)22-18(25(34)38-5)13-16(24(33)37-4)14-19-21(22)20(23(28)32)15(3)30-26(35)29(27(36)31(19)30)17-11-9-8-10-12-17/h8-12,15-16,18-19,22H,6-7,13-14H2,1-5H3/t15-,16-,18+,19+,22+/m1/s1
InChI key: XZQPIAHJDFQXNF-JIYAKBSESA-N
SMILES: CCC1(CC)[C@H]2[C@H](C[C@H](C[C@H]3C2=C([C@@H](C)n2n3c(=O)n(c3ccccc3)c2=O)C1=O)C(=O)OC)C(=O)OC
Systematic name  (3):
  • 5,5-ジエチル-6,8,10-トリオキソ-7β-メチル-9-フェニル-1,2,3,4,4aβ,5,6,9,10,10bα-デカヒドロ-7H,8H-7a,9,10a-トリアザシクロヘプタ[cd]-s-インダセン-2α,4α-ジカルボン酸ジメチル
  • 5,7-ジメチル (4S,5S,7R,9S,15R)-3,3-ジエチル-15-メチル-2,11,13-トリオキソ-12-フェニル-10,12,14-トリアザテトラシクロ[7.6.1.04,16.010,14]ヘキサデカ-1(16)-エン-5,7-ジカルボキシラート
  • 5,7-dimethyl (4S,5S,7R,9S,15R)-3,3-diethyl-15-methyl-2,11,13-trioxo-12-phenyl-10,12,14-triazatetracyclo[7.6.1.04,16.010,14]hexadec-1(16)-ene-5,7-dicarboxylate
Other name (1):
  • 5,5-Diethyl-6,8,10-trioxo-7β-methyl-9-phenyl-1,2,3,4,4aβ,5,6,9,10,10bα-decahydro-7H,8H-7a,9,10a-triazacyclohepta[cd]-s-indacene-2α,4α-dicarboxylic acid dimethyl ester
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