17β-Isopentyloxy-4-Aza-5Alpha-Androstane

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Properties Simple | Detailed

Formula C23H41NO
IUPAC Name (1s,3as,3br,5ar,9ar,9bs,11as)-1-isopentyloxy-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,8,9,9b,10,11-tetradecahydro-1h-indeno[5,4-f]quinoline
Molecular Mass 347.578 g·mol−1
Heat of Formation -456.1 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 478.54 Å 3
Surface Area 382.99 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3as,3br,5ar,9ar,9bs,11as)-1-isoamoxy-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,8,9,9b,10,11-tetradecahydro-1h-indeno[5,4-f]quinoline
  • (1s,3as,3br,5ar,9ar,9bs,11as)-1-isopentyloxy-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,8,9,9b,10,11-tetradecahydro-1h-indeno[5,4-f]quinoline
  • (1s,3as,3br,5ar,9ar,9bs,11as)-9a,11a-dimethyl-1-(3-methylbutoxy)-2,3,3a,3b,4,5,5a,6,7,8,9,9b,10,11-tetradecahydro-1h-indeno[5,4-f]quinoline
  • 17-isopentyloxy-4-azaandrostane
  • 4-azaandrostane, 17-(3-methylbutoxy)-, (5alpha,17beta)-
CAS Number(s)
  • 41460-86-0
InChIKey ORKPWGVBNZILAL-NNXZOMJWSA-N
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