Chem
J-GLOBAL ID:200907049330776691   Nikkaji number:J2.462.420J

(3aR)-1,3-Dioxo-2-phenyl-4aα-[(S)-α-hydroxy-4-nitrobenzyl]-1,2,3,3aβ,4,4a,5,6,7,8aβ-decahydrocyclopenta[f]isoindole-6,6-dicarboxylic acid dimethyl ester

(3aR)-1,3-ジオキソ-2-フェニル-4aα-[(S)-α-ヒドロキシ-4-ニトロベンジル]-1,2,3,3aβ,4,4a,5,6,7,8aβ-デカヒドロシクロペンタ[f]イソインドール-6,6-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: C28H26N[N+]O8[O-]
Molecular formula furigana: C28-H26-N2-O9
Molecular weight: 534.521
InChI: InChI=1S/C28H26N2O9/c1-38-25(34)28(26(35)39-2)13-17-12-20-21(24(33)29(23(20)32)18-6-4-3-5-7-18)14-27(17,15-28)22(31)16-8-10-19(11-9-16)30(36)37/h3-12,20-22,31H,13-15H2,1-2H3/t20-,21+,22-,27+/m0/s1
InChI key: AFPXVKGCYPHCBS-JLFWUPFSSA-N
SMILES: COC(=O)C1(CC2=C[C@H]3[C@@H](C[C@]2(C1)[C@@H](O)c1ccc(cc1)[N+](=O)[O-])C(=O)N(C3=O)c1ccccc1)C(=O)OC
Systematic name  (3):
  • (3aR)-1,3-ジオキソ-2-フェニル-4aα-[(S)-α-ヒドロキシ-4-ニトロベンジル]-1,2,3,3aβ,4,4a,5,6,7,8aβ-デカヒドロシクロペンタ[f]イソインドール-6,6-ジカルボン酸ジメチル
  • 6,6-ジメチル (3aR,4aR,8aS)-4a-[(S)-ヒドロキシ(4-ニトロフェニル)メチル]-1,3-ジオキソ-2-フェニル-1H,2H,3H,3aH,4H,4aH,5H,6H,7H,8aH-シクロペンタ[f]イソインドール-6,6-ジカルボキシラート
  • 6,6-dimethyl (3aR,4aR,8aS)-4a-[(S)-hydroxy(4-nitrophenyl)methyl]-1,3-dioxo-2-phenyl-1H,2H,3H,3aH,4H,4aH,5H,6H,7H,8aH-cyclopenta[f]isoindole-6,6-dicarboxylate
Other name (1):
  • (3aR)-1,3-Dioxo-2-phenyl-4aα-[(S)-α-hydroxy-4-nitrobenzyl]-1,2,3,3aβ,4,4a,5,6,7,8aβ-decahydrocyclopenta[f]isoindole-6,6-dicarboxylic acid dimethyl ester
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