Decumbenone A

Molecule SVG Image

Properties Simple | Detailed

Formula C16H24O4
IUPAC Name 1-[(1r,2r,6s,8s,8as)-2,8-dihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydronaphthalen-1-yl]-3-hydroxy-propan-1-one
Molecular Mass 280.359 g·mol−1
Heat of Formation -785.1 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 345.3 Å 3
Surface Area 284.23 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,8-dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydro-naphthalen-1-yl)-3-hydroxy-propan-1-one
  • 1-(2,8-dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3-hydroxy-1-propanone
  • 1-[(1r,2r,6s,8s,8as)-2,8-dihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydronaphthalen-1-yl]-3-hydroxy-propan-1-one
  • 1-propanone, 1-[(1r,2r,6s,8s,8as)-1,2,6,7,8,8a-hexahydro-2,8-dihydroxy-1,2,6-trimethyl-1-naphthalenyl]-3-hydroxy-
  • rel-1-[(1r,2r,6s,8s,8as)-2,8-dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3-hydroxypropan-1-one
InChIKey KPUOKNHMWKNLJE-LIDJKPORSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O