(3β,7Alpha,22R)-Cholest-5-Ene-3,7,22-Triol

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Properties Simple | Detailed

Formula C27H46O3
IUPAC Name (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(1s,2r)-2-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
Molecular Mass 418.652 g·mol−1
Heat of Formation -874.6 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 562.83 Å 3
Surface Area 430.06 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(1s,2r)-2-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(1s,2r)-2-hydroxy-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(2s,3r)-3-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(2s,3r)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • cholest-5-ene-3,7,22-triol
  • cholest-5-ene-3,7,22-triol, (3beta,7alpha,22r)-
CAS Number(s)
  • 104786-66-5
InChIKey ULLWYOKOOHAYDJ-SDLILUQASA-N
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