(3β,17β)-17-[Methyl(4-Methylpentyl)Amino]Androst-5-En-3-Ol

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Properties Simple | Detailed

Formula C26H45NO
IUPAC Name (3s,8r,9s,10r,13s,14s,17s)-17-[isohexyl(methyl)amino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 387.642 g·mol−1
Heat of Formation -431.2 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 541.96 Å 3
Surface Area 417.04 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8r,9s,10r,13s,14s,17s)-10,13-dimethyl-17-(methyl-(4-methylpentyl)amino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8r,9s,10r,13s,14s,17s)-17-(isohexyl-methyl-amino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8r,9s,10r,13s,14s,17s)-17-(isohexyl-methylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 20-azacholesterol
  • androst-5-en-3-ol, 17-(methyl(4-methylpentyl)amino)-, (3beta,17beta)-
CAS Number(s)
  • 1973-59-7
InChIKey KBXHYUUOONOAIT-OLDNPOFQSA-N
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