(1α,3Beta)-Cholesta-5,7-Diene-1,3,25-Triol

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Properties Simple | Detailed

Formula C27H44O3
IUPAC Name (1s,3r,9s,10r,13r,14r,17r)-17-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-1,3-diol
Molecular Mass 416.636 g·mol−1
Heat of Formation -805.5 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 559.04 Å 3
Surface Area 430.34 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,9s,10r,13r,14r,17r)-17-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-1,3-diol
  • (1s,3r,9s,10r,13r,14r,17r)-17-[(1r)-5-hydroxy-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-1,3-diol
  • (1s,3r,9s,10r,13r,14r,17r)-17-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-1,3-diol
  • (1s,3r,9s,10r,13r,14r,17r)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-1,3-diol
  • 1alpha,25-dihydroxy-7-dehydrocholesterol
  • cholesta-5,7-diene-1,3,25-triol, (1alpha,3beta)-
CAS Number(s)
  • 61954-91-4
InChIKey ULTFRKKCCDVVGE-VMVOXKIBSA-N
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