(5β,8Alpha,9β,10Alpha,13Alpha)-16-Hydroxy-18-Oxokauran-17-Yl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C22H34O4
IUPAC Name [(1s,4s,5r,9s,10r,13r,14s)-5-formyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
Molecular Mass 362.503 g·mol−1
Heat of Formation -886.3 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 451.53 Å 3
Surface Area 352.65 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
Synonyms
  • acon1_001178
  • megxp0_001239
InChIKey FCHGRGOUMXZTFS-CGGXXNKWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O