4-Azapregnane-3,20-Dione, 4-Methyl-, (5α)-

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Properties Simple | Detailed

Formula C21H33NO2
IUPAC Name (1s,3as,3bs,5ar,9ar,9bs,11as)-1-acetyl-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1h-indeno[5,4-f]quinolin-7-one
Molecular Mass 331.492 g·mol−1
Heat of Formation -557.2 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 428.87 Å 3
Surface Area 335.87 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3as,3bs,5ar,9ar,9bs,11as)-1-acetyl-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1h-indeno[5,4-f]quinolin-7-one
  • (1s,3as,3bs,5ar,9ar,9bs,11as)-1-ethanoyl-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1h-indeno[5,4-f]quinolin-7-one
  • 4-aza-4-methyl-5alpha-pregnane-3,20-dione
  • 4-aza-4-methylpregnane-3,20-dione
  • l 637146
  • l-637,146
CAS Number(s)
  • 73671-90-6
InChIKey WGPZAVZHAGYUOL-UBYIZVQESA-N
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