(3β,20S)-20-[(3-Methylbutyl)Amino]Pregn-5-En-3-Ol

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Properties Simple | Detailed

Formula C26H45NO
IUPAC Name (3s,8s,9s,10r,13s,14s,17s)-17-[(1s)-1-(isopentylamino)ethyl]-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 -461.8 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 536.65 Å 3
Surface Area 430.22 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,17s)-10,13-dimethyl-17-[(1s)-1-(3-methylbutylamino)ethyl]-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,17s)-17-[(1s)-1-(isoamylamino)ethyl]-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,17s)-17-[(1s)-1-(isopentylamino)ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 22-azacholesterol
  • pregn-5-en-3-ol, 20-((3-methylbutyl)amino)-, (3beta,20s)-
CAS Number(s)
  • 3915-24-0
InChIKey PCLDERUMTJBTMY-MJHCCXMASA-N
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