Chem
J-GLOBAL ID：200907047947190055   Nikkaji number：J1.890.380F

Trichodermamide A

トリコデルマミドA
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： C20H20N2O9
Molecular formula furigana： C20-H20-N2-O9
Molecular weight： 432.385
InChI： InChI=1S/C20H20N2O9/c1-28-13-5-3-9-7-10(19(26)30-15(9)16(13)29-2)21-18(25)11-8-20(27)14(24)6-4-12(23)17(20)31-22-11/h3-7,12,14,17,23-24,27H,8H2,1-2H3,(H,21,25)/t12-,14-,17+,20+/m1/s1
InChI key： ZQOKLOPATOTAEE-OVCSSCHWSA-N
SMILES： COc1ccc2cc(NC(=O)C3=NO[C@H]4[C@H](O)C=C[C@@H](O)[C@@]4(O)C3)c(=O)oc2c1OC
Systematic name  (3)：
  • 4aβ,5α,8β-トリヒドロキシ-4a,5,8,8aβ-テトラヒドロ-N-(7,8-ジメトキシ-2-オキソ-2H-1-ベンゾピラン-3-イル)-4H-1,2-ベンゾオキサジン-3-カルボアミド
  • (4aS,5R,8R,8aS)-N-(7,8-ジメトキシ-2-オキソ-2H-クロメン-3-イル)-4a,5,8-トリヒドロキシ-4a,5,8,8a-テトラヒドロ-4H-1,2-ベンゾオキサジン-3-カルボキサミド
  • (4aS,5R,8R,8aS)-N-(7,8-dimethoxy-2-oxo-2H-chromen-3-yl)-4a,5,8-trihydroxy-4a,5,8,8a-tetrahydro-4H-1,2-benzoxazine-3-carboxamide
Other name (3)：
  • 4aβ,5α,8β-Trihydroxy-4a,5,8,8aβ-tetrahydro-N-(7,8-dimethoxy-2-oxo-2H-1-benzopyran-3-yl)-4H-1,2-benzoxazine-3-carboxamide
  • トリコデルマミドA
  • Trichodermamide A
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