(6β)-6-Hydroxycholest-4-En-3-One

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Properties Simple | Detailed

Formula C27H44O2
IUPAC Name (6r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 400.637 g·mol−1
Heat of Formation -636.3 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 546.38 Å 3
Surface Area 424.23 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (6r,8s,9s,10r,13r,14s,17r)-6-hydroxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 4-cholesten-6-ol-3-one
  • 4-cholesten-6beta-ol-3-one
  • cholest-4-en-3-one, 6-hydroxy-, (6beta)-
CAS Number(s)
  • 570-89-8
InChIKey VUCDSTCRVYGRSG-ZAAZJSNSSA-N
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