14α-Hydroxymethyl-5α-Cholest-6-Ene-3Beta,15α-Diol

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Properties Simple | Detailed

Formula C28H48O3
IUPAC Name (3s,5r,8r,9s,10s,13r,14s,15s,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]phenanthrene-3,15-diol
Molecular Mass 432.679 g·mol−1
Heat of Formation -850.3 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 575.58 Å 3
Surface Area 437.64 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,8r,9s,10s,13r,14s,15s,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]phenanthrene-3,15-diol
  • (3s,5r,8r,9s,10s,13r,14s,15s,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]phenanthrene-3,15-diol
  • (3s,5r,8r,9s,10s,13r,14s,15s,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]phenanthrene-3,15-diol
InChIKey CUTLVOWAGHDRHK-ZCBBNDRSSA-N
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