(3β)-3-Hydroxylupan-28-Oic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C30H50O3
IUPAC Name (1s,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Molecular Mass 458.716 g·mol−1
Heat of Formation -943.8 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 594.61 Å 3
Surface Area 427.58 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 4.19 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hydroxylupan-28-oic acid, (3.beta.)
  • dihydrobetulinic acid
  • lupan-28-oic acid, 3-hydroxy-, (3beta)-
CAS Number(s)
  • 25488-53-3
InChIKey PZXJOHSZQAEJFE-FZFNOLFKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O