6-Chloro-17-Hydroxy-19-Norpregna-4,6-Diene-3,20-Dione

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Properties Simple | Detailed

Formula C20H25ClO3
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 348.864 g·mol−1
Heat of Formation -576.8 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 411.02 Å 3
Surface Area 332.05 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17r)-6-chloro-17-ethanoyl-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
InChIKey ANJGIFXUFSBZPX-WLCXVKOPSA-N
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