19-Hydroxycholesterol

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Properties Simple | Detailed

Formula C27H46O2
IUPAC Name (3s,8s,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 402.653 g·mol−1
Heat of Formation -688.5 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 547.9 Å 3
Surface Area 425.95 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10s,13r,14s,17r)-10-(hydroxymethyl)-13-methyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-13-methyl-10-methylol-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • cholest-5-ene-3,19-diol, (3beta)-
CAS Number(s)
  • 561-63-7
InChIKey YRWIUNJQYGATHV-FTLVODPJSA-N
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