Chem
J-GLOBAL ID:200907001997147649   Nikkaji number:J2.591.633F

(1α,5α)-4-Isopropylidene-6β-(4-nitrobenzoyloxy)bicyclo[3.3.1]nonane-2,2-dicarboxylic acid diethyl ester

(1α,5α)-4-イソプロピリデン-6β-(4-ニトロベンゾイルオキシ)ビシクロ[3.3.1]ノナン-2,2-ジカルボン酸ジエチル
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: C25H31[N+]O7[O-]
Molecular formula furigana: C25-H31-N-O8
Molecular weight: 473.522
InChI: InChI=1S/C25H31NO8/c1-5-32-23(28)25(24(29)33-6-2)14-20(15(3)4)19-13-17(25)9-12-21(19)34-22(27)16-7-10-18(11-8-16)26(30)31/h7-8,10-11,17,19,21H,5-6,9,12-14H2,1-4H3/t17-,19+,21+/m1/s1
InChI key: NGZSUOSZSPSPJU-LMNJBCLMSA-N
SMILES: CCOC(=O)C1(CC(=C(C)C)[C@@H]2C[C@H]1CC[C@@H]2OC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)OCC
Systematic name  (3):
  • (1α,5α)-4-イソプロピリデン-6β-(4-ニトロベンゾイルオキシ)ビシクロ[3.3.1]ノナン-2,2-ジカルボン酸ジエチル
  • 2,2-ジエチル (1R,5S,6S)-6-(4-ニトロベンゾイルオキシ)-4-(プロパン-2-イリデン)ビシクロ[3.3.1]ノナン-2,2-ジカルボキシラート
  • 2,2-diethyl (1R,5S,6S)-6-(4-nitrobenzoyloxy)-4-(propan-2-ylidene)bicyclo[3.3.1]nonane-2,2-dicarboxylate
Other name (1):
  • (1α,5α)-4-Isopropylidene-6β-(4-nitrobenzoyloxy)bicyclo[3.3.1]nonane-2,2-dicarboxylic acid diethyl ester
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