Pregn-7-En-4-Ol, 21-(3,4-Dihydro-4-(1-Methylethylidene)-2H-Pyrrol-5-Yl)-3-(Dimethylamino)-20-Methyl-, (3β,4β,5Alpha,20R)-

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Formula C31H50N2O
IUPAC Name (3s,4r,5r,9r,10r,13r,14r,17r)-3-dimethylamino-10,13-dimethyl-17-[(2r)-1-(3-propan-2-ylidene-4,5-dihydropyrrol-2-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-4-ol
Molecular Mass 466.742 g·mol−1
Heat of Formation -301.3 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 624.36 Å 3
Surface Area 484.96 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 3.37 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4r,5r,9r,10r,13r,14r,17r)-3-dimethylamino-17-[(1r)-2-(3-isopropylidene-1-pyrrolin-2-yl)-1-methyl-ethyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-4-ol
  • (3s,4r,5r,9r,10r,13r,14r,17r)-3-dimethylamino-17-[(1r)-2-(3-isopropylidene-4,5-dihydropyrrol-2-yl)-1-methyl-ethyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-4-ol
  • (3s,4r,5r,9r,10r,13r,14r,17r)-3-dimethylamino-17-[(1r)-2-(3-isopropylidene-4,5-dihydropyrrol-2-yl)-1-methylethyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-4-ol
  • lokysterolamine a
  • n,n-dimethylplakinamine a
CAS Number(s)
  • 159934-14-2
InChIKey VIMZHTFJEDRKBC-GQYVRWDISA-N
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