(3β,22Alpha)-3,22-Dihydroxyurs-12-En-30-Oic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C30H48O4
IUPAC Name (1r,2r,4s,4ar,6ar,6as,6br,8ar,10s,12ar,14bs)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-2-carboxylic acid
Molecular Mass 472.700 g·mol−1
Heat of Formation -1053.3 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 597.69 Å 3
Surface Area 426.31 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 3.87 ± eV
Point Group Symmetry C1
Synonyms
  • (
  • )
  • ,
  • -
  • 0
  • 1
  • 2
  • 3
  • 4
  • 5
  • 6
  • 7
  • 8
  • 9
  • a
  • b
  • c
  • d
  • e
  • h
  • i
  • l
  • m
  • n
  • o
  • p
  • r
  • s
  • t
  • x
  • y
InChIKey IWVWTVWLRSUYNC-YLOASUEESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O