(22R)-22-Hydroxycholest-4-En-3-One

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Properties Simple | Detailed

Formula C27H44O2
IUPAC Name (8s,9s,10r,13s,14s,17r)-17-[(1s,2r)-2-hydroxy-1,5-dimethyl-hexyl]-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 -658.1 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 542.62 Å 3
Surface Area 425.17 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17r)-17-[(1s,2r)-2-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17r)-17-[(1s,2r)-2-hydroxy-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17r)-17-[(2s,3r)-3-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17r)-17-[(2s,3r)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 22-hydroxycholest-4-en-3-one
  • 22r-hydroxycholest-4-en-3-one
  • cholest-4-en-3-one, 22-hydroxy-, (22r)-
CAS Number(s)
  • 60881-76-7
InChIKey YXEUIHYGTAHPFF-JBZOCUGJSA-N
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