Pregn-5-En-3-Ol, 20-Methyl-21-((2-Methylpropyl)Amino)-, (3β,20S)-

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Properties Simple | Detailed

Formula C26H45NO
IUPAC Name (3s,8s,9s,10r,13s,14s,17r)-17-[(1s)-2-(isobutylamino)-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 387.642 g·mol−1
Heat of Formation -449.3 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 541.06 Å 3
Surface Area 426.7 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,17r)-10,13-dimethyl-17-[(2s)-1-(2-methylpropylamino)propan-2-yl]-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-(isobutylamino)-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-(isobutylamino)-1-methylethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
InChIKey VEHNVYQXLUWVLW-XSLNCIIRSA-N
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