(17α,20R)-20,21-Epoxy-19-Norpregna-1,3,5(10)-Triene-3,17-Diol

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Properties Simple | Detailed

Formula C20H26O3
IUPAC Name (8r,9s,13s,14s,17s)-13-methyl-17-[(2r)-oxiran-2-yl]-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 314.419 g·mol−1
Heat of Formation -449.1 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 388.29 Å 3
Surface Area 318.21 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-13-methyl-17-[(2r)-2-oxiranyl]-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • (8r,9s,13s,14s,17s)-13-methyl-17-[(2r)-oxiran-2-yl]-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • 19-norpregna-1,3,5(10)-triene-3,17-diol, 20,21-epoxy-, (17alpha,20r)-
  • 20,21-epoxy-19-norpregna-1,3,5(10)-triene-3,17-diol (17alpha,20r)-
  • 3,17-dihydroxy-20,21-epoxy-19-norpregna-1,3,5(10)-triene
  • denpt
CAS Number(s)
  • 102651-47-8
InChIKey DVZRZZJKBCUJGQ-BOQPXBONSA-N
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