Bufalin

Molecule SVG Image

Properties Simple | Detailed

Formula C24H34O4
IUPAC Name 5-[(3s,5r,8r,9s,10s,13r,14s,17r)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Molecular Mass 386.524 g·mol−1
Heat of Formation -825.7 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 474.98 Å 3
Surface Area 361.31 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 3beta,14-dihydroxy-5beta,20(22)-bufadienolide
  • 3beta,14beta-dihydroxy-5beta-bufa-20,22-dienolide
  • 5-[(3s,5r,8r,9s,10s,13r,14s,17r)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
  • 5-[(3s,5r,8r,9s,10s,13r,14s,17r)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
  • 5beta, 20(22)-bufadienolide-3beta, 14-diol
  • 5beta,20(22)-bufadienolide-3beta,14-diol
  • hsci1_000110
  • lmst01130001
  • smp2_000290
InChIKey QEEBRPGZBVVINN-BMPKRDENSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O