(6β)-6,21-Dihydroxypregn-4-Ene-3,20-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C21H30O4
IUPAC Name (6r,8s,9s,10r,13s,14s,17s)-6-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 346.461 g·mol−1
Heat of Formation -798.5 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 427.22 Å 3
Surface Area 336.04 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,8s,9s,10r,13s,14s,17s)-17-glycoloyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (6r,8s,9s,10r,13s,14s,17s)-6-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (6r,8s,9s,10r,13s,14s,17s)-6-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (6r,8s,9s,10r,13s,14s,17s)-6-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 6-alpha-hydroxy-11-deoxycorticosterone
  • 6-hydroxy-11-deoxycorticosterone
  • 6alpha-hydroxydoc
  • 6beta-hydroxydoc
  • pregn-4-ene-3,20-dione, 6,21-dihydroxy-, (6beta)-
CAS Number(s)
  • 298-65-7
InChIKey NCYJPPVFCXZXCE-QCVZGKPXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O