Coprosterol

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Properties Simple | Detailed

Formula C27H48O
IUPAC Name (3s,5r,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 -613.7 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 546.06 Å 3
Surface Area 420.37 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,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,5r,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
  • 3.beta.-hydroxy-5.beta.-cholestanol
  • 5.beta.-cholestan-3.beta.-ol
  • 5beta-cholestan-3beta-ol
  • cholestan-3-ol, (3.beta.,5.beta.)-
  • coprostanol
  • koprosterin
  • koprosterol
  • lmst01010078
CAS Number(s)
  • 360-68-9
InChIKey QYIXCDOBOSTCEI-NWKZBHTNSA-N
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