(3β,25R)-26-Sulfanylcholest-5-En-3-Ol

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Properties Simple | Detailed

Formula C27H46OS
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r,5r)-1,5-dimethyl-6-sulfanyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 418.719 g·mol−1
Heat of Formation -498.9 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 568.72 Å 3
Surface Area 446.89 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r,6r)-6-methyl-7-sulfanyl-heptan-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,13r,14s,17r)-10,13-dimethyl-17-[(2r,6r)-6-methyl-7-sulfanylheptan-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,13r,14s,17r)-17-[(1r,5r)-1,5-dimethyl-6-sulfanyl-hexyl]-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,13r,14s,17r)-17-[(1r,5r)-6-mercapto-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-ol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r,5r)-6-mercapto-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 26-thiacholesterol
  • cholest-5-en-3-ol, 26-mercapto-, (3beta,25r)-
CAS Number(s)
  • 117768-78-2
InChIKey SADAWOFTFFMPGA-YSQMORBQSA-N
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