Trichodermamide A

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Properties Simple | Detailed

Formula C20H20N2O9
IUPAC Name (4as,5r,8r,8as)-n-(7,8-dimethoxy-2-oxo-chromen-3-yl)-4a,5,8-trihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
Molecular Mass 432.381 g·mol−1
Heat of Formation -1114.8 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 456.09 Å 3
Surface Area 394.23 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,5r,8r,8as)-4a,5,8-trihydroxy-n-(2-keto-7,8-dimethoxy-chromen-3-yl)-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
  • (4as,5r,8r,8as)-n-(7,8-dimethoxy-2-oxo-3-chromenyl)-4a,5,8-trihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
  • (4as,5r,8r,8as)-n-(7,8-dimethoxy-2-oxo-chromen-3-yl)-4a,5,8-trihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
  • (4as,5r,8r,8as)-n-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
InChIKey ZQOKLOPATOTAEE-OVCSSCHWSA-N
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