5B-Cholestanol

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Properties Simple | Detailed

Formula C27H48O
IUPAC Name (3s,5s,8r,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 388.669 g·mol−1
Heat of Formation -613.4 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 550.32 Å 3
Surface Area 425.81 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 2.97 ± eV
Point Group Symmetry C1
Synonyms
  • ()-dihydrocholesterol
  • (3s,5s,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,8r,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 3beta-hydroxy-5alpha-cholestane
  • 3beta-hydroxycholestane
  • 5-alpha-cholestan-3-beta-ol
  • 5alpha-cholestan-3beta-ol
  • 5alpha-cholestanol
  • 5alpha-dihydrocholesterol
  • beta-cholestanol
  • cholestan-3-ol, (3beta,5alpha)-
  • cholestan-3beta-ol
  • cholestanol (van)
  • dihydrocholesterol
  • lmst01010077
CAS Number(s)
  • 29466-38-4
  • 118167-50-3
InChIKey QYIXCDOBOSTCEI-QCYZZNICSA-N
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