Chem
J-GLOBAL ID:200907049599238955   Nikkaji number:J2.754.617J

(3aα,6aα)-6α-[(S)-1-Phenyl-2-nitroethyl]-1-phenylhexahydro-1H-cyclopenta[c]isoxazole-3α-carboxylic acid ethyl ester

(3aα,6aα)-6α-[(S)-1-フェニル-2-ニトロエチル]-1-フェニルヘキサヒドロ-1H-シクロペンタ[c]イソオキサゾール-3α-カルボン酸エチル
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: C23H26N[N+]O4[O-]
Molecular formula furigana: C23-H26-N2-O5
Molecular weight: 410.470
InChI: InChI=1S/C23H26N2O5/c1-2-29-23(26)22-19-14-13-18(20(15-24(27)28)16-9-5-3-6-10-16)21(19)25(30-22)17-11-7-4-8-12-17/h3-12,18-22H,2,13-15H2,1H3/t18-,19+,20-,21-,22+/m1/s1
InChI key: SANUGCNVELGKFJ-YHINDDMVSA-N
SMILES: CCOC(=O)[C@H]1ON([C@@H]2[C@H](CC[C@H]12)[C@H](C[N+](=O)[O-])c1ccccc1)c1ccccc1
Systematic name  (4):
  • (3S,3aα,6aα)-1-フェニル-6α-[(1S)-1-フェニル-2-ニトロエチル]ヘキサヒドロ-1H-シクロペンタ[c]イソオキサゾール-3α-カルボン酸エチル
  • (3aα,6aα)-6α-[(S)-1-フェニル-2-ニトロエチル]-1-フェニルヘキサヒドロ-1H-シクロペンタ[c]イソオキサゾール-3α-カルボン酸エチル
  • エチル (3S,3aS,6R,6aR)-6-[(1S)-2-ニトロ-1-フェニルエチル]-1-フェニル-ヘキサヒドロ-1H-シクロペンタ[c][1,2]オキサゾール-3-カルボキシラート
  • ethyl (3S,3aS,6R,6aR)-6-[(1S)-2-nitro-1-phenylethyl]-1-phenyl-hexahydro-1H-cyclopenta[c][1,2]oxazole-3-carboxylate
Other name (2):
  • (3S,3aα,6aα)-1-Phenyl-6α-[(1S)-1-phenyl-2-nitroethyl]hexahydro-1H-cyclopenta[c]isoxazole-3α-carboxylic acid ethyl ester
  • (3aα,6aα)-6α-[(S)-1-Phenyl-2-nitroethyl]-1-phenylhexahydro-1H-cyclopenta[c]isoxazole-3α-carboxylic acid ethyl ester
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