(3β,25R)-3,26-Dihydroxycholest-5-Ene-16,22-Dione

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Properties Simple | Detailed

Formula C27H42O4
IUPAC Name (3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-17-[(1s,5r)-6-hydroxy-1,5-dimethyl-2-oxo-hexyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Molecular Mass 430.620 g·mol−1
Heat of Formation -954.4 ± 16.7 kJ·mol−1
Dipole Moment 7.70 ± 1.08 D
Volume 555.55 Å 3
Surface Area 440.93 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-17-[(1s,5r)-6-hydroxy-1,5-dimethyl-2-oxo-hexyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
  • (3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-17-[(1s,5r)-6-hydroxy-1,5-dimethyl-2-oxohexyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
  • (3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-17-[(1s,5r)-6-hydroxy-2-keto-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
  • (3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-17-[(2s,6r)-7-hydroxy-6-methyl-3-oxo-heptan-2-yl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
  • (3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-17-[(2s,6r)-7-hydroxy-6-methyl-3-oxoheptan-2-yl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
InChIKey GDKGOXUWEBGZBY-WQTURIIHSA-N
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