Chem
J-GLOBAL ID:200907008735273354   Nikkaji number:J1.663.352F

(1α,5α,8R)-4β-(2-Nitrophenyl)-7-methylene-8-tert-butoxybicyclo[3.2.1]octa-2-ene-6β-ol

(1α,5α,8R)-4β-(2-ニトロフェニル)-7-メチレン-8-tert-ブトキシビシクロ[3.2.1]オクタ-2-エン-6β-オール
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: C19H23[N+]O3[O-]
Molecular formula furigana: C19-H23-N-O4
Molecular weight: 329.396
InChI: InChI=1S/C19H23NO4/c1-11-12-9-10-14(13-7-5-6-8-15(13)20(22)23)16(17(11)21)18(12)24-19(2,3)4/h5-10,12,14,16-18,21H,1H2,2-4H3/t12-,14+,16+,17+,18-/m1/s1
InChI key: MXSJJFBTUBZUFZ-SHAWWILOSA-N
SMILES: CC(C)(C)O[C@H]1[C@@H]2[C@@H](O)C(=C)[C@H]1C=C[C@H]2c1ccccc1[N+](=O)[O-]
Systematic name  (3):
  • (1α,5α,8R)-4β-(2-ニトロフェニル)-7-メチレン-8-tert-ブトキシビシクロ[3.2.1]オクタ-2-エン-6β-オール
  • (1R,4R,5S,6R,8R)-8-(tert-ブトキシ)-7-メチリデン-4-(2-ニトロフェニル)ビシクロ[3.2.1]オクタ-2-エン-6-オール
  • (1R,4R,5S,6R,8R)-8-(tert-butoxy)-7-methylidene-4-(2-nitrophenyl)bicyclo[3.2.1]oct-2-en-6-ol
Other name (1):
  • (1α,5α,8R)-4β-(2-Nitrophenyl)-7-methylene-8-tert-butoxybicyclo[3.2.1]octa-2-ene-6β-ol
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