Pregn-5-En-20-One, 3α-Hydroxy-

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Properties Simple | Detailed

Formula C21H32O2
IUPAC Name 1-[(3r,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 316.478 g·mol−1
Heat of Formation -537.6 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 414.31 Å 3
Surface Area 324.9 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3r,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
  • 3alpha-hydroxypregn-5-en-20-one
CAS Number(s)
  • 19037-28-6
InChIKey ORNBQBCIOKFOEO-QYYVTAPASA-N
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