21-Desoxycortisol

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Properties Simple | Detailed

Formula C21H30O4
IUPAC Name (8s,9s,10r,11s,13s,14s,17r)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 346.461 g·mol−1
Heat of Formation -830.6 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 425.86 Å 3
Surface Area 331.11 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13s,14s,17r)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13s,14s,17r)-17-ethanoyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 11-beta,17-alpha-dihydroxypregn-4-ene-3,20-dione
  • 11beta,17alpha-dihydroxypregn-4-ene-3,20-dione
InChIKey LCZBQMKVFQNSJR-UJPCIWJBSA-N
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