(3β,5Alpha,16Alpha,24S)-Stigmast-14-Ene-3,16-Diol

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Formula C29H50O2
IUPAC Name (3s,5s,8r,9s,10s,13r,16r,17r)-17-[(1r,4s)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
Molecular Mass 430.706 g·mol−1
Heat of Formation -761.4 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 591.89 Å 3
Surface Area 446.37 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8r,9s,10s,13r,16r,17r)-17-[(1r,4s)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
  • (3s,5s,8r,9s,10s,13r,16r,17r)-17-[(1r,4s)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
  • (3s,5s,8r,9s,10s,13r,16r,17r)-17-[(2r,5s)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
  • (3s,5s,8r,9s,10s,13r,16r,17r)-17-[(2r,5s)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
  • 24-ethyl-5alpha-cholest-14-ene-3beta-16alpha-diol
  • 24-ethylcholest-14-ene-3,16-diol
  • 24r(-)-ethylcholest-14-ene-3,16-diol
  • 24s(-)-ethylcholest-14-ene-3,16-diol
CAS Number(s)
  • 140147-34-8
InChIKey UBIQQOLRFLRFBL-YUBQVYHLSA-N
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