Chem
J-GLOBAL ID：200907001484294042   Nikkaji number：J582.854F

3-Oxosolanida-4,22(28)-diene-28-ium

3-オキソソラニダ-4,22(28)-ジエン-28-イウム
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： C27H40[N+]O
Molecular formula furigana： C27-H40-N-O
Molecular weight： 394.622
InChI： InChI=1S/C27H40NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h13,16-17,20-22,24-25H,5-12,14-15H2,1-4H3/q+1/t16-,17+,20+,21-,22-,24-,25-,26-,27-/m0/s1
InChI key： OIKGCZPJHKKIOS-FICXCMRQSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[N+]2=C1CC[C@H](C)C2
Systematic name  (3)：
  • 3-オキソソラニダ-4,22(28)-ジエン-28-イウム
  • (1S,2S,10R,11S,14S,15R,16S,20S,23S)-10,14,16,20-テトラメチル-7-オキソ-22λ5-アザヘキサシクロ[12.10.0.02,11.05,10.015,23.017,22]テトラコサ-5,17(22)-ジエン-22-イリウム
  • (1S,2S,10R,11S,14S,15R,16S,20S,23S)-10,14,16,20-tetramethyl-7-oxo-22λ5-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosa-5,17(22)-dien-22-ylium
Other name (1)：
  • 3-Oxosolanida-4,22(28)-diene-28-ium
Thsaurus map：
Thesaurus Map

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