1-[(3S,3As,5Ar,7R,9Ar,9Bs)-7-(2-Hydroxyethyl)-3A-Methyldodecahydro-1H-Cyclopenta[A]Naphthalen-3-Yl]Ethanone

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Properties Simple | Detailed

Formula C18H30O2
IUPAC Name 1-[(3s,3as,5ar,7r,9ar,9bs)-7-(2-hydroxyethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl]ethanone
Molecular Mass 278.430 g·mol−1
Heat of Formation -585.4 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 374.67 Å 3
Surface Area 311.61 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(7-(2-hydroxyethyl)dodecahydro-3a-methyl-1h-benz(e)inden-3-yl)ethanone
  • 1-[(3s,3as,5ar,7r,9ar,9bs)-7-(2-hydroxyethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[h]naphthalen-3-yl]ethanone
  • 3s-(3alpha,3aalpha,5abeta,7alpha,9aalpha,9bbeta)-1-(7-(2-hydroxyethyl)dodecahydro-3a-methyl-1h-benz(e)inden-3-yl)ethanone
  • bi-1
  • ethanone, 1-(dodecahyro-7-(2-hydroxyethyl)-3a-methyl-1h-benz(e)inden-3-yl)-, (3s-(3alpha,3aalpha,5abeta,7alpha,9aalpha,9bbeta))-
CAS Number(s)
  • 145551-68-4
InChIKey OOTXTVKIKCULJJ-UIGZQWRCSA-N
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