3α-Hydroxy-4-Pregnen-20-One

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Properties Simple | Detailed

Formula C21H32O2
IUPAC Name 1-[(3r,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 316.478 g·mol−1
Heat of Formation -533.5 ± 16.7 kJ·mol−1
Dipole Moment 1.19 ± 1.08 D
Volume 409.83 Å 3
Surface Area 324.67 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3r,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 3-hydroxypregn-4-en-20-one
  • pregn-4-en-20-one, 3-hydroxy-, (3alpha)-
CAS Number(s)
  • 25680-68-6
InChIKey QWVWXRKHAXWWSV-QYYVTAPASA-N
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