(2R,3R,4As,6Ar,10Ar,10Bs)-3,4A,7,7,10A-Pentamethyl-3-Vinyldodecahydro-1H-Benzo[F]Chromen-2-Yl Acetate

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Properties Simple | Detailed

Formula C22H36O3
IUPAC Name [(2r,3r,4as,6ar,10ar,10bs)-3,4a,7,7,10a-pentamethyl-3-vinyl-2,5,6,6a,8,9,10,10b-octahydro-1h-benzo[f]chromen-2-yl] acetate
Molecular Mass 348.519 g·mol−1
Heat of Formation -745.1 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 456.76 Å 3
Surface Area 350.27 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 4.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2r-(2alpha,3beta,4abeta,6aalpha,10abeta,10balpha))-3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-1h-naphtho(2,1-b)pyran-2-ol acetate
  • 1h-naphtho(2,1-b)pyran-2-ol, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, acetate, (2r-(2alpha,3beta,4abeta,6aalpha,10abeta,10balpha))-
  • [(2r,3r,4as,6ar,10ar,10bs)-3,4a,7,7,10a-pentamethyl-3-vinyl-2,5,6,6a,8,9,10,10b-octahydro-1h-benzo[f]chromen-2-yl] acetate
  • [(2r,3r,4as,6ar,10ar,10bs)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1h-benzo[f]chromen-2-yl] acetate
  • [(2r,3r,4as,6ar,10ar,10bs)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1h-benzo[f]chromen-2-yl] ethanoate
  • acetic acid [(2r,3r,4as,6ar,10ar,10bs)-3,4a,7,7,10a-pentamethyl-3-vinyl-2,5,6,6a,8,9,10,10b-octahydro-1h-benzo[f]chromen-2-yl] ester
  • ent-13-epi-12-acetoxymanoyl oxide
  • manoyl oxide f1
CAS Number(s)
  • 122551-69-3
InChIKey KZMQJOCDCYRIJB-PACCEGMYSA-N
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