(2β,3β)-2,3-Dihydroxyolean-12-Ene-23,28-Dioic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C30H46O6
IUPAC Name (2s,3r,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
Molecular Mass 502.683 g·mol−1
Heat of Formation -1393.6 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 617.3 Å 3
Surface Area 443.07 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
  • 2-beta,3-beta-dihydroxyolean-12-ene-23,28-dioic acid
  • 599-07-5 (free acid)
  • medicagenic acid
  • olean-12-ene-23,28-dioic acid, 2,3-dihydroxy-, (2.beta.,3.beta.4.alpha.)-
CAS Number(s)
  • 599-07-5
InChIKey IDGXIXSKISLYAC-WNTKNEGGSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O