(3β)-3,19-Dihydroxyurs-12-En-28-Oic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C30H48O4
IUPAC Name (1r,2r,4as,6ar,6as,6br,8ar,10s,12ar,14bs)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Mass 472.700 g·mol−1
Heat of Formation -1032.0 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 593.47 Å 3
Surface Area 419.71 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4as,6ar,6as,6br,8ar,10s,12ar,14bs)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • pomolic acid
  • urs-12-en-28-oic acid, 3,19-dihydroxy-, (3.beta.)-
CAS Number(s)
  • 13849-91-7
InChIKey ZZTYPLSBNNGEIS-OPAXANQDSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O