Labdane

Molecule SVG Image

Properties Simple | Detailed

Formula C20H38
IUPAC Name (4ar,5s,6s,8as)-1,1,4a,6-tetramethyl-5-[(3r)-3-methylpentyl]decalin
Molecular Mass 278.516 g·mol−1
Heat of Formation -350.1 ± 16.7 kJ·mol−1
Dipole Moment 0.01 ± 1.08 D
Volume 411.18 Å 3
Surface Area 323.99 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 3.82 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,4as,8ar)-2,5,5,8a-tetramethyl-1-[(3r)-3-methylpentyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene
  • (4ar,5s,6s,8as)-1,1,4a,6-tetramethyl-5-[(3r)-3-methylpentyl]decalin
InChIKey LEWJAHURGICVRE-AISVETHESA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C