Cholesterol Linoleate

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Properties Simple | Detailed

Formula C45H76O2
IUPAC Name [(3s,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]phenanthren-3-yl] (9z,12z)-octadeca-9,12-dienoate
Molecular Mass 649.084 g·mol−1
Heat of Formation -857.8 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 926.29 Å 3
Surface Area 779.75 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 1.10 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta)-cholest-5-en-3-ol, (9z,12z)-9,12-octadecadienoate
  • (3beta)-cholest-5-en-3-ol, (z,z)-9,12-octadecadienoate
  • (3beta)-cholest-5-en-3-yl (9z,12z)-octadeca-9,12-dienoate
  • (9z,12z)-octadeca-9,12-dienoic acid [(3s,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]phenanthren-3-yl] ester
  • (z,z)-(3beta)-cholest-5-en-3-ol 9,12-octadecadienoate
  • (z,z)-(3beta)-cholest-5-en-3-ol, 9,12-octadecadienoate
  • 18:2 cholesteryl ester
  • [(3s,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]phenanthren-3-yl] (9z,12z)-octadeca-9,12-dienoate
  • [(3s,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]phenanthren-3-yl] (9z,12z)-octadeca-9,12-dienoate
  • cholest-5-en-3-ol (3beta)-, (9z,12z)-9,12-octadecadienoate
  • cholest-5-en-3-ol (3beta)-, 9,12-octadecadienoate, (z,z)- (9ci)
  • cholest-5-en-3beta-yl (9z,12z-octadecadienoate)
  • cholest-5-en-3beta-yl (z,z)-octadeca-9,12-dienoate
  • cholesterol, linoleate (8ci)
  • cll
  • lmst01020008
CAS Number(s)
  • 100339-48-8
  • 126346-09-6
  • 604-33-1
  • 55102-87-9
InChIKey NAACPBBQTFFYQB-LJAITQKLSA-N
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