(1R,3As,3Br,4R,5As,7R,8As,8Bs,10As)-1,7-Diethynyl-4,8A,10A-Trimethylhexadecahydrodicyclopenta[A,F]Naphthalene-1,7-Diol

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Formula C23H32O2
IUPAC Name (2r,3as,3bs,5as,6r,8as,8br,9r,10as)-2,6-diethynyl-3a,5a,9-trimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
Molecular Mass 340.499 g·mol−1
Heat of Formation -98.1 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 375.42 Å 3
Surface Area 293.07 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 7-methyl-a-norandrostane-2,17-diethynyl-2,17-diol
  • 7-mnadd
  • 7alpha-methyl-a-nor-5alpha-androstane-2alpha,17alpha-diethynyl-2beta,17beta-diol
  • 7beta-methyl-a-nor-5alpha-androstane-2alpha,17alpha-diethynyl-2beta,17beta-diol
CAS Number(s)
  • 73672-11-4
InChIKey IQVIPGMGOUKLCM-IQBPWVFJSA-N
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