Tibolone

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Properties Simple | Detailed

Formula C21H28O2
IUPAC Name (7r,8r,9s,13s,14s,17r)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 312.446 g·mol−1
Heat of Formation -249.5 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 402.16 Å 3
Surface Area 323.93 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (7beta,8xi,9beta,13alpha,14beta,17alpha)-17-ethynyl-17-hydroxy-7-methylestr-5(10)-en-3-one
  • (7r,8r,9s,13s,14s,17r)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
  • boltin
  • d01639
  • kb-889
  • livial
  • liviella
  • org-od14
  • tibolone (jan/usan)
  • xyvion
CAS Number(s)
  • 5630-53-5
InChIKey WZDGZWOAQTVYBX-XOINTXKNSA-N
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