E-Guggulsterone

Molecule SVG Image

Properties Simple | Detailed

Formula C21H28O2
IUPAC Name (8r,9s,10r,13s,14s,17e)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
Molecular Mass 312.446 g·mol−1
Heat of Formation -389.9 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 401.77 Å 3
Surface Area 321.76 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (17e)-pregna-4,17(20)-diene-3,16-dione
  • (17e)-pregna-4,17-diene-3,16-dione
  • (8r,9s,10r,13s,14s,17e)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
  • (8r,9s,10r,13s,14s,17e)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-quinone
  • (z)-guggulsterone
  • guggulsterone
  • guggulsterones e
  • pregna-4,17-diene-3,16-dione
  • trans-guggulsterone
CAS Number(s)
  • 95975-55-6
InChIKey WDXRGPWQVHZTQJ-AUKWTSKRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O