Trichodermamide B

Molecule SVG Image

Properties Simple | Detailed

Formula C20H19ClN2O8
IUPAC Name (4ar,5r,8r,8as)-5-chloro-n-(7,8-dimethoxy-2-oxo-chromen-3-yl)-4a,8-dihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
Molecular Mass 450.826 g·mol−1
Heat of Formation -983.5 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 468.92 Å 3
Surface Area 402.09 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,5r,8r,8as)-5-chloro-4a,8-dihydroxy-n-(2-keto-7,8-dimethoxy-chromen-3-yl)-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
  • (4ar,5r,8r,8as)-5-chloro-n-(7,8-dimethoxy-2-oxo-3-chromenyl)-4a,8-dihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
  • (4ar,5r,8r,8as)-5-chloro-n-(7,8-dimethoxy-2-oxo-chromen-3-yl)-4a,8-dihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
  • (4ar,5r,8r,8as)-5-chloro-n-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,8-dihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
  • 5-chloro-4a,8-dihydroxy-4a,5,8,8a-tetrahydro-4h-benzo[e][1,2]oxazine-3-carboxylic acid (7,8-dimethoxy-2-oxo-2h-chromen-3-yl)-amide
  • rel-(4ar,5r,8r,8as)-5-chloro-n-(7,8-dimethoxy-2-oxo-2h-chromen-3-yl)-4a,8-dihydroxy-4a,5,8,8a-tetrahydro-4h-1,2-benzoxazine-3-carboxamide
InChIKey ROOWAKADKHUVSQ-OVCSSCHWSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl