Cholesterol Hydrogen Sulfate

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Properties Simple | Detailed

Formula C27H46O4S
IUPAC Name [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-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
Molecular Mass 466.717 g·mol−1
Heat of Formation -106.9 ± 16.7 kJ·mol−1
Dipole Moment 70.60 ± 1.08 D
Volume 591.16 Å 3
Surface Area 462.67 Å 2
HOMO Energy -7.20 ± 0.55 eV
LUMO Energy -5.14 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-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)-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
  • c3s
  • chol-sulf
  • cholest-5-en-3-ol (3beta)-, hydrogen sulfate
  • cholest-5-en-3-ol, hydrogen sulfate, (3beta)-
  • cholest-5-en-3beta-ol sulfate
  • cholesterol 3-sulfate
  • cholesterol, hydrogen sulfate (7ci,8ci)
  • cholesteryl sulfate
  • y5-cholesten-3beta-yl sulfate
CAS Number(s)
  • 1491-95-8
  • 1256-86-6
  • 127565-97-3
InChIKey BHYOQNUELFTYRT-DPAQBDIFSA-N
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