(3β,5β,6β)-3-Hydroxy-5,6-Epoxypregnan-20-One

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Properties Simple | Detailed

Formula C21H32O3
IUPAC Name (3beta,5beta,6beta)-3-hydroxy-5,6-epoxypregnan-20-one
Molecular Mass 332.477 g·mol−1
Heat of Formation -617.3 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 420.95 Å 3
Surface Area 331.36 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,5beta,6beta)-5,6-epoxy-3-hydroxypregnan-20-one
  • 5beta,6beta-epoxy-3beta-hydroxypregnan-20-one
  • pregnenolone 5,6beta-epoxide
CAS Number(s)
  • 6585-70-2
InChIKey QLULPRPVLIPVFS-HUPPADNKSA-N
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