(3β)-21,21-Dichloro-3-Hydroxypregn-5-En-20-One

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Formula C21H30Cl2O2
IUPAC Name 2,2-dichloro-1-[(3s,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 385.368 g·mol−1
Heat of Formation -553.4 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 459.03 Å 3
Surface Area 357.98 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dichloro-1-[(3s,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 21,21-dcpn
  • 21,21-dichloropregnenolone
  • pregn-5-en-20-one, 21,21-dichloro-3-hydroxy-
CAS Number(s)
  • 117038-60-5
InChIKey NKTSEDXFEYAMFC-OSQVXGLNSA-N
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Elements H C O Cl