(3β,17Xi)-22-Aminocholest-5-En-3-Ol

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Formula C27H47NO
IUPAC Name (3s,8s,9s,10r,13s,14s,17r)-17-[(1s,2r)-2-amino-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 401.668 g·mol−1
Heat of Formation -489.2 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 561.15 Å 3
Surface Area 439.08 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,17r)-17-[(1s,2r)-2-amino-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13s,14s,17r)-17-[(1s,2r)-2-amino-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13s,14s,17r)-17-[(2s,3r)-3-amino-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13s,14s,17r)-17-[(2s,3r)-3-amino-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
InChIKey AGRHLODVOQJVIA-GFKLAVDKSA-N
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