(3β,5Alpha)-3,26-Dihydroxycholest-8(14)-En-15-One

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Properties Simple | Detailed

Formula C27H44O3
IUPAC Name (3s,5s,9r,10s,13r,17r)-3-hydroxy-17-[(1r,5r)-6-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
Molecular Mass 416.636 g·mol−1
Heat of Formation -840.5 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 555.85 Å 3
Surface Area 433.35 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,9r,10s,13r,17r)-3-hydroxy-17-[(1r,5r)-6-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
  • (3s,5s,9r,10s,13r,17r)-3-hydroxy-17-[(1r,5r)-6-hydroxy-1,5-dimethylhexyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
  • (3s,5s,9r,10s,13r,17r)-3-hydroxy-17-[(2r,6r)-7-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
  • (3s,5s,9r,10s,13r,17r)-3-hydroxy-17-[(2r,6r)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
InChIKey DSHHTQBAVZFVEB-IXQIHPJKSA-N
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