3β-Hydroxy-5Alpha-Cholest-8-En-11-One

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Properties Simple | Detailed

Formula C27H44O2
IUPAC Name (3s,5s,10s,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one
Molecular Mass 400.637 g·mol−1
Heat of Formation -656.9 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 542.76 Å 3
Surface Area 424.41 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,10s,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one
  • (3s,5s,10s,13r,14r,17r)-3-hydroxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one
  • 3-haceo
  • 3-hydroxycholest-8-en-11-one
  • cholest-8-en-11-one, 3-hydroxy-, (3beta,5alpha)-
CAS Number(s)
  • 62250-89-9
InChIKey YZZQPKDTGWIZOT-XIZQYPOSSA-N
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