(7α,25R)-7,26-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,5r)-6-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 -801.9 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 557.21 Å 3
Surface Area 434.03 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,8s,9s,10r,13r,14s,17r)-7-hydroxy-17-[(1r,5r)-6-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,5r)-6-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,6r)-7-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,6r)-7-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
InChIKey KVJVJJWIEXCECB-OICBIKJFSA-N
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