24-(Dimethylamino)Chol-5-En-3β-Ol

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Properties Simple | Detailed

Formula C26H45NO
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-4-(dimethylamino)-1-methyl-butyl]-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 -427.1 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 537.86 Å 3
Surface Area 420.64 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-4-dimethylamino-1-methyl-butyl]-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,13r,14s,17r)-17-[(1r)-4-dimethylamino-1-methylbutyl]-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,13r,14s,17r)-17-[(2r)-5-dimethylaminopentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 25-azacholesterol
  • chol-5-en-3-ol, 24-(dimethylamino)-, (3beta)-
CAS Number(s)
  • 1973-61-1
InChIKey RZPPEFJMRVRCDD-XSLNCIIRSA-N
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