(1R,3As,3Br,5As,7R,8As,8Bs,10As)-1,7-Diethynyl-8A,10A-Dimethylhexadecahydrodicyclopenta[A,F]Naphthalene-1,7-Diol

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Properties Simple | Detailed

Formula C22H30O2
IUPAC Name (2r,3as,3bs,5as,6r,8as,8br,10as)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
Molecular Mass 326.472 g·mol−1
Heat of Formation -74.6 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 371.5 Å 3
Surface Area 296.11 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 1.29 ± eV
Point Group Symmetry C1
Synonyms
  • a-nor-5-alpha,17-alpha-pregn-20-yne-2-beta,17-diol, 2-ethynyl-
  • a-norpregn-20-yne-2,17-diol, 2-ethynyl-, (2-beta,5-alpha,17-alpha)- (9ci)
  • af 45 (pharmaceutical)
  • af-45
  • anordiol
  • dicyclopenta(a,f)naphthalene-1,7-diol, 1,7-diethynylhexadecahydro-8a,10a-dimethyl-, (1r,3as,3br,5as,7r,8as,8bs,10as)-
  • dicyclopenta(a,f)naphthalene-1,7-diol, 1,7-diethynylhexadecahydro-8a,10a-dimethyl-, (1r-(1alpha,3abeta,3balpha,5abeta,7alpha,8aalpha,8bbeta,10aalpha))-
  • h 241
  • h241
CAS Number(s)
  • 1045-29-0
InChIKey HUUUMTTWAPMBMU-ZBJWQKIUSA-N
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