5α-Cholestane-3α,7α,25-Triol

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Properties Simple | Detailed

Formula C27H48O3
IUPAC Name (3r,5r,7r,8r,9s,10s,13r,14s,17r)-17-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
Molecular Mass 420.668 g·mol−1
Heat of Formation -986.8 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 568.75 Å 3
Surface Area 437.28 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 3.05 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,7r,8r,9s,10s,13r,14s,17r)-17-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • (3r,5r,7r,8r,9s,10s,13r,14s,17r)-17-[(1r)-5-hydroxy-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • (3r,5r,7r,8r,9s,10s,13r,14s,17r)-17-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • (3r,5r,7r,8r,9s,10s,13r,14s,17r)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • c-3,7,25-t
  • cholestane-3,7,25-triol
  • cholestane-3,7,25-triol, (3alpha,5alpha,7alpha)-
  • lmst04030090
CAS Number(s)
  • 61088-54-8
InChIKey UROPIWALBBMYRP-CEIFOQQWSA-N
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