Chem
J-GLOBAL ID:201607013063746665   Nikkaji number:J3.462.071G

(7R,8aS,8a′S)-1′′-Acetyl-5′′-carboxy-2-isopropyl-2′-(4-nitrophenyl)-7-(4-pentenoyloxy)-6,7,8,8′,8a,8a′-hexahydrodispiro[pyrrolo[1,2-a]pyrazine-3(4H),7′(6′H)-pyrrolo[1,2-a]pyrazine-3′(4′H),3′′-pyrrolidine]-1(2H),1′(2′H),4,4′-tetraone

(7''R,8'aS,8''aS)-1-アセチル-2'-(4-ニトロフェニル)-1',1'',4',4''-テトラオキソ-7''-(ペンタ-4-エノイルオキシ)-2''-(プロパン-2-イル)-ドデカヒドロ-1''H-ジスピロ[ピロリジン-3,3':7',3''-ビス(ピロロ[1,2-a]ピラジン)]-5-カルボン酸
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: C33H38N5[N+]O10[O-]
Molecular formula furigana: C33-H38-N6-O11
Molecular weight: 694.698
InChI: InChI=1S/C33H38N6O11/c1-5-6-7-26(41)50-22-12-23-27(42)37(18(2)3)32(30(46)34(23)15-22)13-24-28(43)38(20-8-10-21(11-9-20)39(48)49)33(31(47)36(24)17-32)14-25(29(44)45)35(16-33)19(4)40/h5,8-11,18,22-25H,1,6-7,12-17H2,2-4H3,(H,44,45)/t22-,23+,24+,25?,32?,33?/m1/s1
InChI key: VWXWBKJZTRQTJE-JPLJLTJVSA-N
SMILES: CC(C)N1C(=O)[C@@H]2C[C@H](CN2C(=O)C21C[C@@H]1N(C2)C(=O)C2(CC(N(C2)C(=O)C)C(=O)O)N(C1=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)CCC=C
Systematic name  (3):
  • (7R,8aS,8a′S)-1′′-アセチル-5′′-カルボキシ-2-イソプロピル-2′-(4-ニトロフェニル)-7-(4-ペンテノイルオキシ)-6,7,8,8′,8a,8a′-ヘキサヒドロジスピロ[ピロロ[1,2-a]ピラジン-3(4H),7′(6′H)-ピロロ[1,2-a]ピラジン-3′(4′H),3′′-ピロリジン]-1(2H),1′(2′H),4,4′-テトラオン
  • (7''R,8'aS,8''aS)-1-アセチル-2'-(4-ニトロフェニル)-1',1'',4',4''-テトラオキソ-7''-(ペンタ-4-エノイルオキシ)-2''-(プロパン-2-イル)-ドデカヒドロ-1''H-ジスピロ[ピロリジン-3,3':7',3''-ビス(ピロロ[1,2-a]ピラジン)]-5-カルボン酸
  • (7''R,8'aS,8''aS)-1-acetyl-2'-(4-nitrophenyl)-1',1'',4',4''-tetraoxo-7''-(pent-4-enoyloxy)-2''-(propan-2-yl)-dodecahydro-1''H-dispiro[pyrrolidine-3,3':7',3''-bis(pyrrolo[1,2-a]pyrazine)]-5-carboxylic acid
Other name (1):
  • (7R,8aS,8a′S)-1′′-Acetyl-5′′-carboxy-2-isopropyl-2′-(4-nitrophenyl)-7-(4-pentenoyloxy)-6,7,8,8′,8a,8a′-hexahydrodispiro[pyrrolo[1,2-a]pyrazine-3(4H),7′(6′H)-pyrrolo[1,2-a]pyrazine-3′(4′H),3′′-pyrrolidine]-1(2H),1′(2′H),4,4′-tetraone
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