7α,25-Dihydroxycholest-4-En-3-One

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Properties Simple | Detailed

Formula C27H44O3
IUPAC Name (7r,8s,9s,10r,13r,14s,17r)-7-hydroxy-17-[(1r)-5-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 416.636 g·mol−1
Heat of Formation -839.5 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 559.55 Å 3
Surface Area 433.75 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,8s,9s,10r,13r,14s,17r)-7-hydroxy-17-[(1r)-5-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
  • (7r,8s,9s,10r,13r,14s,17r)-7-hydroxy-17-[(1r)-5-hydroxy-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (7r,8s,9s,10r,13r,14s,17r)-7-hydroxy-17-[(2r)-6-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
  • (7r,8s,9s,10r,13r,14s,17r)-7-hydroxy-17-[(2r)-6-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
  • 7alpha,25-dihydroxycholestenone
  • lmst04030107
InChIKey POUKDTOWHPHYQU-HENOKILYSA-N
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