Chem
J-GLOBAL ID：201707002230862023   Nikkaji number：J3.523.347D

(1α,4α,7R)-5-(Benzoxazole-2-yl)-3,3-dimethoxy-7-phenylbicyclo[2.2.2]octa-5-ene-2-one

(1α,4α,7R)-5-(ベンゾオキサゾール-2-イル)-3,3-ジメトキシ-7-フェニルビシクロ[2.2.2]オクタ-5-エン-2-オン
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： C23H21NO4
Molecular formula furigana： C23-H21-N-O4
Molecular weight： 375.424
InChI： InChI=1S/C23H21NO4/c1-26-23(27-2)18-13-15(14-8-4-3-5-9-14)16(21(23)25)12-17(18)22-24-19-10-6-7-11-20(19)28-22/h3-12,15-16,18H,13H2,1-2H3/t15-,16+,18+/m0/s1
InChI key： CUYXUTVYCQTQFA-LZLYRXPVSA-N
SMILES： COC1(OC)[C@@H]2C[C@H]([C@@H](C=C2c2nc3ccccc3o2)C1=O)c1ccccc1
Systematic name  (3)：
  • (1α,4α,7R)-5-(ベンゾオキサゾール-2-イル)-3,3-ジメトキシ-7-フェニルビシクロ[2.2.2]オクタ-5-エン-2-オン
  • (1R,4R,7R)-5-(1,3-ベンゾオキサゾール-2-イル)-3,3-ジメトキシ-7-フェニルビシクロ[2.2.2]オクタ-5-エン-2-オン
  • (1R,4R,7R)-5-(1,3-benzoxazol-2-yl)-3,3-dimethoxy-7-phenylbicyclo[2.2.2]oct-5-en-2-one
Other name (1)：
  • (1α,4α,7R)-5-(Benzoxazole-2-yl)-3,3-dimethoxy-7-phenylbicyclo[2.2.2]octa-5-ene-2-one
Thsaurus map：
Thesaurus Map

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