(11β)-11,17-Dihydroxy-3,20-Dioxopregn-4-En-21-Al

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Properties Simple | Detailed

Formula C21H28O5
IUPAC Name 2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-acetaldehyde
Molecular Mass 360.444 g·mol−1
Heat of Formation -889.5 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 430.07 Å 3
Surface Area 332.98 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-acetaldehyde
  • 2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethanal
  • 2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde
  • 2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-keto-acetaldehyde
  • 21-dehydrocortisol
  • pregn-4-en-21-al, 11,17-dihydroxy-3,20-dioxo-, (11beta)-
CAS Number(s)
  • 14760-49-7
InChIKey JIELFMXLFHFDRT-VWUMJDOOSA-N
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