Methyl 3-Oxo-4-Methyl-4-Aza-5α-Androst-1-Ene-17Beta-Carboxylate

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Properties Simple | Detailed

Formula C21H31NO3
IUPAC Name methyl (1s,3as,3bs,5ar,9ar,9bs,11as)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1h-indeno[5,4-f]quinoline-1-carboxylate
Molecular Mass 345.476 g·mol−1
Heat of Formation -621.9 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 434.83 Å 3
Surface Area 343.73 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3as,3bs,5ar,9ar,9bs,11as)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1h-indeno[5,4-f]quinoline-1-carboxylic acid methyl ester
  • (1s,3as,3bs,5ar,9ar,9bs,11as)-7-keto-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1h-indeno[5,4-f]quinoline-1-carboxylic acid methyl ester
  • 1h-indeno(5,4-f)quinoline-7-carboxylic acid, 1,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1,4a,6a-trimethyl-2-oxo-, methyl ester, (4ar-(4aalpha,4bbeta,6aalpha,7alpha,9abeta,9balpha,11abeta))-
  • l 651580
  • l-651580
  • methyl (1s,3as,3bs,5ar,9ar,9bs,11as)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1h-indeno[5,4-f]quinoline-1-carboxylate
CAS Number(s)
  • 103335-44-0
InChIKey RYRGPLSUWGZYDE-ICVGDBTHSA-N
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