(3β,17Alpha,18β)-Lup-20(29)-En-3-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C30H50O
IUPAC Name (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13bs)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
Molecular Mass 426.717 g·mol−1
Heat of Formation -406.0 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 568.43 Å 3
Surface Area 408.85 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 1.38 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,5xi,9xi,13xi,17xi,18xi,19xi)-lup-20(29)-en-3-ol
  • lup-20(29)-en-3-ol, (3beta,5xi,9xi,13xi,17xi,18xi,19xi)-
InChIKey MQYXUWHLBZFQQO-DBLPCHSJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O