(6α,11α)-11,17-Dihydroxy-6-Methyl-3,20-Dioxopregna-1,4-Dien-21-Yl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C24H32O6
IUPAC Name [2-[(6s,8s,9s,10r,11r,13s,14s,17r)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
Molecular Mass 416.507 g·mol−1
Heat of Formation -1108.6 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 499.15 Å 3
Surface Area 388.3 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • [2-[(6s,8s,9s,10r,11r,13s,14s,17r)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
  • [2-[(6s,8s,9s,10r,11r,13s,14s,17r)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] ethanoate
  • [2-[(6s,8s,9s,10r,11r,13s,14s,17r)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
  • acetic acid [2-[(6s,8s,9s,10r,11r,13s,14s,17r)-11,17-dihydroxy-3-keto-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
  • acetic acid [2-[(6s,8s,9s,10r,11r,13s,14s,17r)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
InChIKey PLBHSZGDDKCEHR-WDKYIQGNSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O