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

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Formula C22H30O2
IUPAC Name (2s,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 -84.8 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 380.11 Å 3
Surface Area 292.68 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 1.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2alpha,5alpha,17alpha)-2-ethynyl-a-norpregn-20-yne-2,17-diol
  • 2,17,diethynyl-2,17-dihydroxy-a-norandrostane
  • a-norandrostane-2alpha,17alpha-diethynyl-2beta,17beta-diol
  • a-norpregn-20-yne-2,17-diol, 2-ethynyl-, (2alpha,5alpha,17alpha)-
  • dicyclopenta(a,f)naphthalene-1,7-diol, 1,7-diethynylhexadecahydro-8a,10a-dimethyl-, (1r,3as,3br,5as,7s,8as,8bs,10as)-
CAS Number(s)
  • 1045-30-3
InChIKey HUUUMTTWAPMBMU-KGIOUCCPSA-N
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