(11β)-11-Hydroxy-3,20-Dioxopregn-4-En-21-Yl Hydrogen Sulfate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H30O7S
IUPAC Name [2-[(8s,9s,10r,11s,13s,14s,17s)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] hydrogen sulfate
Molecular Mass 426.524 g·mol−1
Heat of Formation -1318.6 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 482.53 Å 3
Surface Area 380.41 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (11beta)-11-hydroxy-21-(sulfooxy)pregn-4-ene-3,20-dione
  • [2-[(8s,9s,10r,11s,13s,14s,17s)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] hydrogen sulfate
  • [2-[(8s,9s,10r,11s,13s,14s,17s)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate
  • [2-[(8s,9s,10r,11s,13s,14s,17s)-11-hydroxy-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] hydrogen sulfate
  • corticosterone sulfate
CAS Number(s)
  • 1105-02-8
InChIKey DWEMVKUDQCSHGT-HJTSIMOOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O