Etioline

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Formula C27H43NO2
IUPAC Name (3s,8s,9s,10r,13s,14s,16r,17r)-10,13-dimethyl-17-[(1s)-1-[(3s)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
Molecular Mass 413.636 g·mol−1
Heat of Formation -588.8 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 545.02 Å 3
Surface Area 422.0 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (25s)-22,26-iminocholesta-5,22(n)-dien-3beta,16beta-diol
  • lmst01150008
InChIKey JMSRDKIFVZVAMX-AGQBKMEESA-N
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