(3β,5Alpha)-14-(Hydroxymethyl)Cholest-6-En-3-Ol

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Properties Simple | Detailed

Formula C28H48O2
IUPAC Name (3s,5r,8r,9s,10s,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-14-(hydroxymethyl)-10,13-dimethyl-1,2,3,4,5,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 416.680 g·mol−1
Heat of Formation -682.8 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 568.36 Å 3
Surface Area 432.07 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,8r,9s,10s,13r,14r,17r)-14-(hydroxymethyl)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,5,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
  • (3s,5r,8r,9s,10s,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-14-methylol-1,2,3,4,5,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
  • (3s,5r,8r,9s,10s,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-14-(hydroxymethyl)-10,13-dimethyl-1,2,3,4,5,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
InChIKey FMFMWXWMFAWXSZ-KDHZJOHXSA-N
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