Chem
J-GLOBAL ID：200907056505201383   Nikkaji number：J1.753.735K

(4S,5aR,10bR)-4,8-Dimethoxy-1,4,5a,6,10b-pentahydrospiro[5-oxaacephenanthrylene-3(2H),2′-[1,3]dioxolane]-10b-carbonitrile

(4S,5aR,10bR)-4,8-ジメトキシ-1,4,5a,6,10b-ペンタヒドロスピロ[5-オキサアセフェナントリレン-3(2H),2′-[1,3]ジオキソラン]-10b-カルボニトリル
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： C20H21NO5
Molecular formula furigana： C20-H21-N-O5
Molecular weight： 355.390
InChI： InChI=1S/C20H21NO5/c1-22-13-3-4-14-12(9-13)10-15-16-17(18(23-2)26-15)20(24-7-8-25-20)6-5-19(14,16)11-21/h3-4,9,15,18H,5-8,10H2,1-2H3/t15-,18+,19-/m1/s1
InChI key： SPXLKWAPCILFOX-AYOQOUSVSA-N
SMILES： CO[C@H]1O[C@@H]2Cc3cc(OC)ccc3[C@@]3(CCC4(OCCO4)C1=C23)C#N
Systematic name  (3)：
  • (4S,5aR,10bR)-4,8-ジメトキシ-1,4,5a,6,10b-ペンタヒドロスピロ[5-オキサアセフェナントリレン-3(2H),2′-[1,3]ジオキソラン]-10b-カルボニトリル
  • (1'R,9'R,11'S)-5',11'-ジメトキシ-10'-オキサスピロ[1,3-ジオキソラン-2,13'-テトラシクロ[7.6.1.02,7.012,16]ヘキサデカン]-2',4',6',12'(16')-テトラエン-1'-カルボニトリル
  • (1'R,9'R,11'S)-5',11'-dimethoxy-10'-oxaspiro[1,3-dioxolane-2,13'-tetracyclo[7.6.1.02,7.012,16]hexadecane]-2',4',6',12'(16')-tetraene-1'-carbonitrile
Other name (1)：
  • (4S,5aR,10bR)-4,8-Dimethoxy-1,4,5a,6,10b-pentahydrospiro[5-oxaacephenanthrylene-3(2H),2′-[1,3]dioxolane]-10b-carbonitrile
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