(3α,5Beta,7α,12α,24R)-Ergostane-3,7,12,25-Tetrol

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Formula C28H50O4
IUPAC Name (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r,4r)-5-hydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
Molecular Mass 450.694 g·mol−1
Heat of Formation -1184.4 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 599.18 Å 3
Surface Area 455.03 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r,4r)-5-hydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
  • (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r,4r)-5-hydroxy-1,4,5-trimethylhexyl]-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
  • (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(2r,5r)-6-hydroxy-5,6-dimethyl-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-3,7,12-triol
  • 24(r)-methyl-5beta-cholestane-3alpha,7alpha,12alpha,25-tetrol
  • 24(s)-methyl-5beta-cholestane-3alpha,7alpha,12alpha,25-tetrol
  • 24-mc-3,7,12,25-tetrol
  • 24-methylcholestane-3,7,12,25-tetrol
  • ergostane-3,7,12,25-tetrol, n-(2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl)-, (3alpha,5beta,7alpha,12alpha,24r)-
CAS Number(s)
  • 93522-96-4
InChIKey IHJZJTWPTQVDFK-JZPQJZBMSA-N
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