Cholest-5,7-Diene-1α,3Beta-Diol

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Properties Simple | Detailed

Formula C27H44O2
IUPAC Name (1s,3r,9s,10r,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-1,3-diol
Molecular Mass 400.637 g·mol−1
Heat of Formation -599.5 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 543.62 Å 3
Surface Area 427.88 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,9s,10r,13r,14r,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-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)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-1,3-diol
  • cdabd
  • cholesta-5,7-diene-1,3-diol, (1alpha,3beta)-
  • cholesta-5,7-diene-1alpha,3beta-diol
CAS Number(s)
  • 43217-89-6
InChIKey PJEIBQWLLDBCCO-FDUUVPPLSA-N
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