Pregn-5-En-3-Ol, 21-Amino-20-Methyl-, (3β,20S)-

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Properties Simple | Detailed

Formula C22H37NO
IUPAC Name (3s,8s,9s,10r,13s,14s,17r)-17-[(1s)-2-amino-1-methyl-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 331.535 g·mol−1
Heat of Formation -387.1 ± 16.7 kJ·mol−1
Dipole Moment 0.84 ± 1.08 D
Volume 448.67 Å 3
Surface Area 350.54 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,17r)-17-[(1s)-2-amino-1-methyl-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,17r)-17-[(1s)-2-amino-1-methylethyl]-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)-1-aminopropan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 21-amino-20-methyl-pregn-5-en-3-ol
  • 22-abc
  • 22-amino-23,24-bisnor-5-cholen-3-ol
CAS Number(s)
  • 78949-97-0
InChIKey CEHZYZVJEXXYPM-NBOCEFNVSA-N
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