Chem
J-GLOBAL ID：200907027902660513   Nikkaji number：J1.166.400H

(7S)-1,2,3,10-Tetramethoxy-7-[[(2,2,2-2H3)acetyl]amino]-6,7-dihydro(8,11-2H2)benzo[a]heptalene-9(5H)-one

(7S)-1,2,3,10-テトラメトキシ-7-[[(2,2,2-2H3)アセチル]アミノ]-6,7-ジヒドロ(8,11-2H2)ベンゾ[a]ヘプタレン-9(5H)-オン
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： C22H20[2H]5NO6
Molecular formula furigana： C22-H25-N-O6
Molecular weight： 404.474
InChI： InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1/i1D3,9D,11D
InChI key： IAKHMKGGTNLKSZ-VITUXZLLSA-N
SMILES： c1([2H])cc2c3c(CC[C@H](NC(=O)C([2H])([2H])[2H])c2c([2H])c(=O)c1OC)cc(OC)c(OC)c3OC
Systematic name  (3)：
  • (7S)-1,2,3,10-テトラメトキシ-7-[[(2,2,2-2H3)アセチル]アミノ]-6,7-ジヒドロ(8,11-2H2)ベンゾ[a]ヘプタレン-9(5H)-オン
  • N-[(10S)-3,4,5,14-テトラメトキシ-13-オキソ(12,15-2H2)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](2H3)アセトアミド
  • N-[(10S)-3,4,5,14-tetramethoxy-13-oxo(12,15-2H2)tricyclo[9.5.0.02,7]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl](2H3)acetamide
Other name (1)：
  • (7S)-1,2,3,10-Tetramethoxy-7-[[(2,2,2-2H3)acetyl]amino]-6,7-dihydro(8,11-2H2)benzo[a]heptalene-9(5H)-one
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