6β-Hydroxycortisol

Molecule SVG Image

Properties Simple | Detailed

Formula C21H30O6
IUPAC Name (6r,8s,9s,10r,11s,13s,14s,17r)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 378.459 g·mol−1
Heat of Formation -1158.1 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 447.42 Å 3
Surface Area 343.32 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,8s,9s,10r,11s,13s,14s,17r)-17-glycoloyl-6,11,17-trihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (6r,8s,9s,10r,11s,13s,14s,17r)-6,11,17-trihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (6r,8s,9s,10r,11s,13s,14s,17r)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (6r,8s,9s,10r,11s,13s,14s,17r)-6,11,17-trihydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
InChIKey GNFTWPCIRXSCQF-UJXAPRPESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O