3α,7α,12α-Trihydroxy-27-Nor-5Beta-Cholestan-24-One

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Properties Simple | Detailed

Formula C26H44O4
IUPAC Name (6r)-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 420.625 g·mol−1
Heat of Formation -1081.2 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 547.09 Å 3
Surface Area 418.18 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 1.14 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-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
  • 27-nor-3,7,12-trihydrocoprostan-24-one
  • 27-norcholestan-24-one, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-
  • 27-nthco
CAS Number(s)
  • 61628-32-8
InChIKey AAOYRDOLIWFRIW-MKRBMIMYSA-N
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