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Substance Name: Cholesteryl linoleate
RN: 604-33-1
UNII: 75427237HI
InChIKey: NAACPBBQTFFYQB-LJAITQKLSA-N

Molecular Formula

  • C45-H76-O2

Molecular Weight

  • 649.093
 
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Names and Synonyms

Name of Substance

  • Cholesteryl linoleate

Synonyms

  • Cholesteryl linoleate
  • EINECS 210-065-9
  • NSC 18183
  • UNII-75427237HI

Systematic Names

  • (Z,Z)-(3beta)-Cholest-5-en-3-ol, 9,12-octadecadienoate
  • Cholest-5-en-3-ol (3beta)-, (9Z,12Z)-9,12-octadecadienoate
  • Cholest-5-en-3-ol (3beta)-, 3-((9Z,12Z)-9,12-octadecadienoate)
  • Cholest-5-en-3-ol (3beta)-, 9,12-octadecadienoate, (Z,Z)- (9CI)
  • Cholest-5-en-3beta-yl (Z,Z)-octadeca-9,12-dienoate
  • Cholesterol, linoleate (8CI)

Registry Numbers

CAS Registry Number

  • 604-33-1

FDA UNII

  • 75427237HI

Other Registry Numbers

  • 100339-48-8
  • 126346-09-6
  • 55102-87-9

System Generated Number

  • 0000604331

Structure Descriptors

InChI

1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

InChIKey

NAACPBBQTFFYQB-LJAITQKLSA-N

Smiles

C(\CCCCC)=C/C\C=C/CCCCCCCC(=O)O[C@@H]1CC2=CC[C@H]3[C@H]4[C@@]([C@H](CC4)[C@@H](CCCC(C)C)C)(CC[C@H]3[C@@]2(C)CC1)C