3-[(2R,5As,8As,8Bs)-2-Isopropenyl-5A-Methyl-6-Oxo-1,2,4,5,5A,6,7,8,8A,8B-Decahydro-As-Indacen-3-Yl]Propyl Acetate

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Properties Simple | Detailed

Formula C21H30O3
IUPAC Name 3-[(2r,5as,8as,8bs)-2-isopropenyl-5a-methyl-6-oxo-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-yl]propyl acetate
Molecular Mass 330.461 g·mol−1
Heat of Formation -619.0 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 436.78 Å 3
Surface Area 369.73 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2r,5as,8as,8bs)-2-isopropenyl-5a-methyl-6-oxo-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-yl]propyl acetate
  • 3-[(2r,5as,8as,8bs)-5a-methyl-6-oxo-2-prop-1-en-2-yl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-yl]propyl acetate
  • 3-[(2r,5as,8as,8bs)-5a-methyl-6-oxo-2-prop-1-en-2-yl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-yl]propyl ethanoate
  • 3-acetoxy-4a-methyl-a-homo-b,19-dinor-3,4-secoandrost-9-en-17-one
  • 3beta-acetoxy-4a-methyl-a-homo-b,19-dinor-3,4-seco-5beta-androst-9-en-17-one
  • acetic acid 3-[(2r,5as,8as,8bs)-2-isopropenyl-5a-methyl-6-oxo-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-yl]propyl ester
  • acetic acid 3-[(2r,5as,8as,8bs)-2-isopropenyl-6-keto-5a-methyl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-yl]propyl ester
  • amhdsa
CAS Number(s)
  • 145458-97-5
InChIKey GHBAWIZUVFCJBD-BNDYYXHWSA-N
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