4β-Hydroxycholesterol

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Properties Simple | Detailed

Formula C27H46O2
IUPAC Name (3s,4r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,4-diol
Molecular Mass 402.653 g·mol−1
Heat of Formation -697.4 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 551.28 Å 3
Surface Area 428.16 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4r,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,4-diol
  • (3s,4r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,4-diol
  • 4beta-hydroxy-cholesterol
  • cholest-5-en-3beta,4beta-diol
  • lmst01010014
InChIKey CZDKQKOAHAICSF-JSAMMMMSSA-N
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