Pregn-5-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H30O2
IUPAC Name (8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 314.462 g·mol−1
Heat of Formation -484.6 ± 16.7 kJ·mol−1
Dipole Moment 2.24 ± 1.08 D
Volume 406.62 Å 3
Surface Area 322.94 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-ethanoyl-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 5-pregnene-3,20-dione
CAS Number(s)
  • 1236-09-5
InChIKey MNRHZPCIEGLWGK-LEKSSAKUSA-N
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