(11α)-11,14-Dihydroxypregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H30O4
IUPAC Name (8r,9s,10r,11r,13r,14r,17s)-17-acetyl-11,14-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 346.461 g·mol−1
Heat of Formation -849.8 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 426.88 Å 3
Surface Area 332.14 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,11r,13r,14r,17s)-17-acetyl-11,14-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,11r,13r,14r,17s)-17-ethanoyl-11,14-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 11,14-dihydroxypregn-4-ene-3,20-dione
  • hped
CAS Number(s)
  • 95832-17-0
InChIKey XVNVIIRMSUKNKJ-CJAFCWQJSA-N
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