(6α,11Beta,17α)-6,11,17,21-Tetrahydroxypregn-4-Ene-3,20-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C21H30O6
IUPAC Name (6s,8s,9s,10r,11s,13s,14s,17s)-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 -1145.3 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 449.88 Å 3
Surface Area 346.01 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,8s,9s,10r,11s,13s,14s,17s)-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
  • (6s,8s,9s,10r,11s,13s,14s,17s)-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
  • (6s,8s,9s,10r,11s,13s,14s,17s)-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
  • (6s,8s,9s,10r,11s,13s,14s,17s)-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
  • 6alpha,11beta,17,21-tetrahydroxypregn-4-ene-3,20-dione
InChIKey GNFTWPCIRXSCQF-ROKOZBKCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O