Chem
J-GLOBAL ID:200907097956286780   Nikkaji number:J404.564E

4-Nitrobenzoic acid (4α-ethyl-2α-methoxy-4-methyltetrahydrofuran)-3β-yl ester

4-ニトロ安息香酸(4α-エチル-2α-メトキシ-4-メチルテトラヒドロフラン)-3β-イル
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: C15H19[N+]O5[O-]
Molecular formula furigana: C15-H19-N-O6
Molecular weight: 309.318
InChI: InChI=1S/C15H19NO6/c1-4-15(2)9-21-14(20-3)12(15)22-13(17)10-5-7-11(8-6-10)16(18)19/h5-8,12,14H,4,9H2,1-3H3/t12-,14+,15-/m1/s1
InChI key: ZDGKNAAEFVLGFT-VHDGCEQUSA-N
SMILES: CC[C@]1(C)CO[C@H](OC)[C@H]1OC(=O)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3):
  • 4-ニトロ安息香酸(4α-エチル-2α-メトキシ-4-メチルテトラヒドロフラン)-3β-イル
  • (2S,3S,4R)-4-エチル-2-メトキシ-4-メチルオキソラン-3-イル 4-ニトロベンゾアート
  • (2S,3S,4R)-4-ethyl-2-methoxy-4-methyloxolan-3-yl 4-nitrobenzoate
Other name (1):
  • 4-Nitrobenzoic acid (4α-ethyl-2α-methoxy-4-methyltetrahydrofuran)-3β-yl ester
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