Chem
J-GLOBAL ID：200907003441802926   Nikkaji number：J1.472.608J

(1R,4aR,10aR)-1,4a-Dimethyl-6-nitro-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester

(1R,4aR,10aR)-1,4a-ジメチル-6-ニトロ-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-1-カルボン酸メチル
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： C18H23[N+]O3[O-]
Molecular formula furigana： C18-H23-N-O4
Molecular weight： 317.385
InChI： InChI=1S/C18H23NO4/c1-17-9-4-10-18(2,16(20)23-3)15(17)8-6-12-5-7-13(19(21)22)11-14(12)17/h5,7,11,15H,4,6,8-10H2,1-3H3/t15-,17+,18-/m1/s1
InChI key： HJSWQQAEMOYBBG-BPQIPLTHSA-N
SMILES： COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CCc1ccc(cc21)[N+](=O)[O-]
Systematic name  (3)：
  • (1R,4aR,10aR)-1,4a-ジメチル-6-ニトロ-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-1-カルボン酸メチル
  • メチル (1R,4aR,10aR)-1,4a-ジメチル-6-ニトロ-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-1-カルボキシラート
  • methyl (1R,4aR,10aR)-1,4a-dimethyl-6-nitro-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
Other name (1)：
  • (1R,4aR,10aR)-1,4a-Dimethyl-6-nitro-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester
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