(5α,17α)-5,17-Dihydroxy-19-Norpregn-20-Yn-3-One

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Properties Simple | Detailed

Formula C20H28O3
IUPAC Name (5r,8r,9s,10r,13s,14s,17r)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 316.435 g·mol−1
Heat of Formation -490.5 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 384.1 Å 3
Surface Area 299.2 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy 3.98 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,8r,9s,10r,13s,14s,17r)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • 19-norpregn-20-yn-3-one, 5,17-dihydroxy-, (5alpha,17alpha)-
  • 5,17-dihydroxy-5,17,19-norpregn-20-yn-3-one
  • dhnpyo
CAS Number(s)
  • 101409-94-3
InChIKey VZJYEIIXZOGNBJ-OHZAXKLOSA-N
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