(3β,5Alpha)-14-(Hydroxymethyl)Cholest-7-En-3-Ol

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Properties Simple | Detailed

Formula C28H48O2
IUPAC Name (3s,5s,9r,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-14-(hydroxymethyl)-10,13-dimethyl-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 416.680 g·mol−1
Heat of Formation -701.8 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 570.71 Å 3
Surface Area 433.67 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,9r,10s,13r,14s,17r)-14-(hydroxymethyl)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
  • (3s,5s,9r,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-14-methylol-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
  • (3s,5s,9r,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-14-(hydroxymethyl)-10,13-dimethyl-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
InChIKey NAHDXUGEGPVTOV-AUUOWNIYSA-N
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