(3β,5β)-3,14-Dihydroxybuf-20-Enolide

Molecule SVG Image

Properties Simple | Detailed

Formula C24H36O4
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]-3,4-dihydropyran-2-one
Molecular Mass 388.540 g·mol−1
Heat of Formation -925.9 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 478.95 Å 3
Surface Area 362.26 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 22,23-dihydrobufalin
  • 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]-3,4-dihydropyran-2-one
  • buf-20-enolide, 3,14-dihydroxy-, (3beta,5beta)-
CAS Number(s)
  • 123623-38-1
InChIKey LESMUPYSKQPXRH-BMPKRDENSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O