(11β,17Z)-11,21-Dihydroxypregna-4,17-Dien-3-One

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Properties Simple | Detailed

Formula C21H30O3
IUPAC Name (8s,9s,10r,11s,13s,14s,17z)-11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 330.461 g·mol−1
Heat of Formation -594.7 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 418.67 Å 3
Surface Area 331.78 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13s,14s,17z)-11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 11-beta,21-dihydroxypregna-4,17(20)-dien-3-one
  • diendiol
  • pregna-4,17(20)-dien-3-one, 11,21-dihydroxy-, (11beta)-
CAS Number(s)
  • 3103-13-7
  • 3494-53-9
InChIKey SBMHTRUNPKWTLU-PKJGFKEFSA-N
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