Chem
J-GLOBAL ID：201407042023541631   Nikkaji number：J3.302.199B

(2′R,3′R,4S,4′S,5′S,6′S)-2′-Hydroxy-5′-nitro-5-oxo-1,4′,6′-triphenyl-2′,3-dimethylspiro[1H-pyrazole-4(5H),1′-cyclohexane]-3′-carboxylic acid ethyl ester

エチル (5S,6R,7R,8S,9S,10S)-6-ヒドロキシ-1,6-ジメチル-9-ニトロ-4-オキソ-3,8,10-トリフェニル-2,3-ジアザスピロ[4.5]デカ-1-エン-7-カルボキシラート
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： C31H31N2[N+]O5[O-]
Molecular formula furigana： C31-H31-N3-O6
Molecular weight： 541.604
InChI： InChI=1S/C31H31N3O6/c1-4-40-28(35)26-24(21-14-8-5-9-15-21)27(34(38)39)25(22-16-10-6-11-17-22)31(30(26,3)37)20(2)32-33(29(31)36)23-18-12-7-13-19-23/h5-19,24-27,37H,4H2,1-3H3/t24-,25-,26+,27+,30-,31+/m1/s1
InChI key： JJGHIDURDPOZSS-SBMPAFFRSA-N
SMILES： CCOC(=O)[C@@H]1[C@H]([C@@H]([C@@H](c2ccccc2)[C@]2(C(=NN(C2=O)c2ccccc2)C)[C@]1(C)O)[N+](=O)[O-])c1ccccc1
Systematic name  (3)：
  • (2′R,3′R,4S,4′S,5′S,6′S)-2′-ヒドロキシ-5′-ニトロ-5-オキソ-1,4′,6′-トリフェニル-2′,3-ジメチルスピロ[1H-ピラゾール-4(5H),1′-シクロヘキサン]-3′-カルボン酸エチル
  • エチル (5S,6R,7R,8S,9S,10S)-6-ヒドロキシ-1,6-ジメチル-9-ニトロ-4-オキソ-3,8,10-トリフェニル-2,3-ジアザスピロ[4.5]デカ-1-エン-7-カルボキシラート
  • ethyl (5S,6R,7R,8S,9S,10S)-6-hydroxy-1,6-dimethyl-9-nitro-4-oxo-3,8,10-triphenyl-2,3-diazaspiro[4.5]dec-1-ene-7-carboxylate
Other name (1)：
  • (2′R,3′R,4S,4′S,5′S,6′S)-2′-Hydroxy-5′-nitro-5-oxo-1,4′,6′-triphenyl-2′,3-dimethylspiro[1H-pyrazole-4(5H),1′-cyclohexane]-3′-carboxylic acid ethyl ester
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