11B,17,21-Trihydroxy-3,20-Dioxo-Pregn-4-En-18-Al

Molecule SVG Image

Properties Simple | Detailed

Formula C21H28O6
IUPAC Name (8s,9s,10r,11s,13r,14s,17r)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-13-carbaldehyde
Molecular Mass 376.443 g·mol−1
Heat of Formation -1065.2 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 438.75 Å 3
Surface Area 341.39 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13r,14s,17r)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-13-carboxaldehyde
  • (8s,9s,10r,11s,13r,14s,17r)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-13-carbaldehyde
  • (8s,9s,10r,11s,13r,14s,17r)-11,17-dihydroxy-17-(2-hydroxyethanoyl)-10-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-13-carbaldehyde
  • (8s,9s,10r,11s,13r,14s,17r)-17-glycoloyl-11,17-dihydroxy-3-keto-10-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-13-carbaldehyde
  • 11beta,17alpha,21-trihydroxy-3,20-diketo-4-pregnene-18-al
  • 18-oxocortisol
  • pregn-4-en-18-al, 11,17,21-trihydroxy-3,20-dioxo-, (11beta)-
CAS Number(s)
  • 2410-60-8
InChIKey XUQWWIFROYJHCU-UKSDXMLSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O