Chem
J-GLOBAL ID：200907037337043411   Nikkaji number：J67.641A

N-Formyldemecolcine

N-ホルミルデメコルシン
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： C22H25NO6
Molecular formula furigana： C22-H25-N-O6
Molecular weight： 399.443
InChI： InChI=1S/C22H25NO6/c1-23(12-24)16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-12,16H,6,8H2,1-5H3/t16-/m0/s1
InChI key： HTWMEJLBEVTMMZ-INIZCTEOSA-N
SMILES： COc1cc2CC[C@H](N(C)C=O)c3cc(=O)c(OC)ccc3c2c(OC)c1OC
Systematic name  (4)：
  • (S)-7-(N-メチル-N-ホルミルアミノ)-6,7-ジヒドロ-1,2,3,10-テトラメトキシベンゾ[a]ヘプタレン-9(5H)-オン
  • (S)-6,7-ジヒドロ-1,2,3,10-テトラメトキシ-7-(メチルホルミルアミノ)ベンゾ[a]ヘプタレン-9(5H)-オン
  • N-メチル-N-[(10S)-3,4,5,14-テトラメトキシ-13-オキソトリシクロ[9.5.0.02,7]ヘキサデカ-1(16),2(7),3,5,11,14-ヘキサエン-10-イル]ホルムアミド
  • N-methyl-N-[(10S)-3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.02,7]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]formamide
Other name (4)：
  • (S)-7-(N-Methyl-N-formylamino)-6,7-dihydro-1,2,3,10-tetramethoxybenzo[a]heptalen-9(5H)-one
  • (S)-6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methylformylamino)benzo[a]heptalene-9(5H)-one
  • N-ホルミルデメコルシン
  • N-Formyldemecolcine
CAS registry number： 14686-61-4
Regulation number (1)：
  • GH0795000
KEGG COMPOUND： C16710
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