(3β,14β)-3-Hydroxypregn-5-En-20-One

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Properties Simple | Detailed

Formula C21H32O2
IUPAC Name 1-[(3s,8s,9s,10r,13s,14r,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 316.478 g·mol−1
Heat of Formation -538.1 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 414.73 Å 3
Surface Area 329.5 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3s,8s,9s,10r,13s,14r,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
InChIKey ORNBQBCIOKFOEO-WMKCGOMXSA-N
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