(3α,5Beta,7α,12α)-Cholestane-3,7,12-Triol

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Formula C27H48O3
IUPAC Name (3r,5s,7r,8r,9s,10s,12s,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]phenanthrene-3,7,12-triol
Molecular Mass 420.668 g·mol−1
Heat of Formation -972.0 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 565.34 Å 3
Surface Area 425.97 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,7r,8r,9s,10s,12s,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]phenanthrene-3,7,12-triol
  • (3r,5s,7r,8r,9s,10s,12s,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]phenanthrene-3,7,12-triol
  • 3,7,12-trihydroxycholestane
  • 3,7,12-trihydroxycoprostane
  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestane
  • 3alpha,7alpha,12alpha-trihydroxycoprostane
  • 5beta-cholestane-3alpha,7alpha,12alpha-triol
  • lmst04030035
  • trihydroxycoprostane
CAS Number(s)
  • 547-96-6
InChIKey RIVQQZVHIVNQFH-XJZYBRFWSA-N
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