(3β)-3-(Hexyloxy)Cholest-5-Ene

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Properties Simple | Detailed

Formula C31H18O
IUPAC Name (14z)-16-buta-1,3-diynoxy-6-[2-(2-methylcyclopropen-1-yl)ethynyl]-4,19-dimethylene-bicyclo[9.8.0]nonadeca-11,12,14-trien-2,7,9,17-tetrayne
Molecular Mass 406.474 g·mol−1
Heat of Formation -619.1 ± 16.7 kJ·mol−1
Dipole Moment 0.75 ± 1.08 D
Volume 671.85 Å 3
Surface Area 553.46 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hexoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
  • (3s,8s,9s,10r,13r,14s,17r)-3-hexoxy-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
  • cholesteryl hexyl ether
CAS Number(s)
  • 74996-31-9
InChIKey HRBCQWUHUOMSHS-IJXDZZBXSA-N
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