(3β)-Stigmast-5-En-3-Yl Hydrogen Sulfate

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Formula C29H46O4S
IUPAC Name [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-1-methyl-hept-6-ynyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] sulfate
Molecular Mass 490.738 g·mol−1
Heat of Formation -1073.3 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 640.35 Å 3
Surface Area 500.51 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • 24-beta-ethylcholest-5-en-3-beta-ol sulfate
  • [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  • [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  • [(3s,8s,9s,10r,13r,14s,17r)-17-[(2r,5r)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  • [(3s,8s,9s,10r,13r,14s,17r)-17-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  • beta-sitosterol sulfate
  • beta-sitosteryl sulfate
  • beta-sitosteryl sulphate
  • cholest-5-en-3-beta-ol, 24-beta-ethyl-, sulfate salt (1:1)
  • sitosterol sulfate
CAS Number(s)
  • 24815-93-8
InChIKey IPVNPUHVCZJVOI-VJSFXXLFSA-N
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