3α,7α,12α,25-Tetrahydroxy-5Beta-Cholestan-24-One

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Properties Simple | Detailed

Formula C27H44O5
IUPAC Name (6r)-2-hydroxy-2-methyl-6-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptan-3-one
Molecular Mass 448.635 g·mol−1
Heat of Formation -1288.5 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 581.49 Å 3
Surface Area 444.81 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 3.95 ± eV
Point Group Symmetry C1
Synonyms
  • 3,7,12,25-tetrahydroxycholestan-24-one
  • 3,7,12,25-thcho
CAS Number(s)
  • 82280-61-3
InChIKey CFVCOEMVLNMDAX-LIIZXMBISA-N
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DOI
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