(6R,6As,8S,10R,10As)-6-Ethyl-2-Hydroxy-6A,8,10-Trimethyl-2,6,6A,7,8,9,10,10A-Octahydro-1H-Isochromeno[4,3-C]Pyridin-1-One

Molecule SVG Image

Properties Simple | Detailed

Formula C17H25NO3+
IUPAC Name (6r,6as,8s,10r,10as)-6-ethyl-2-hydroxy-6a,8,10-trimethyl-6,7,8,9,10,10a-hexahydroisochromeno[4,3-c]pyridin-1-one
Molecular Mass 291.385 g·mol−1
Heat of Formation -476.8 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 363.67 Å 3
Surface Area 301.39 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,6as,8s,10r,10as)-6-ethyl-2-hydroxy-6a,8,10-trimethyl-6,7,8,9,10,10a-hexahydroisochromeno[4,3-c]pyridin-1-one
  • 1h-(2)benzopyrano(4,3-c)pyridin-1-one, 6-ethyl-2,6,6a,7,8,9,10,10a-octahydro-2-hydroxy-6a,8,10-trimethyl-, (6alpha,6aalpha,8beta,10beta,10abeta)-( )-
  • 1h-(2)benzopyrano(4,3-c)pyridin-1-one, 6-ethyl-2,6,6a,7,8,9,10,10a-octahydro-2-hydroxy-6a,8,10-trimethyl-, (6r,6as,8s,10r,10as)-rel-( )-
  • fusaricide
CAS Number(s)
  • 184031-21-8
InChIKey KRTBGHXNQMTBCL-MRYGCYLCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N