Chem
J-GLOBAL ID:200907051347439316   Nikkaji number:J566.898K

Abieta-8,13-dien-18-oic acid (4-nitrophenyl) ester

アビエタ-8,13-ジエン-18-酸(4-ニトロフェニル)
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: C26H33[N+]O3[O-]
Molecular formula furigana: C26-H33-N-O4
Molecular weight: 423.553
InChI: InChI=1S/C26H33NO4/c1-17(2)18-6-12-22-19(16-18)7-13-23-25(22,3)14-5-15-26(23,4)24(28)31-21-10-8-20(9-11-21)27(29)30/h8-11,16-17,23H,5-7,12-15H2,1-4H3/t23-,25-,26-/m1/s1
InChI key: WPVWDFXFXSUCSJ-LGPLSSKUSA-N
SMILES: CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@](C)([C@@H]1CC2)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Systematic name  (3):
  • アビエタ-8,13-ジエン-18-酸(4-ニトロフェニル)
  • 4-ニトロフェニル (1R,4aS,10aR)-1,4a-ジメチル-7-(プロパン-2-イル)-1,2,3,4,4a,5,6,9,10,10a-デカヒドロフェナントレン-1-カルボキシラート
  • 4-nitrophenyl (1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carboxylate
Other name (1):
  • Abieta-8,13-dien-18-oic acid (4-nitrophenyl) ester
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