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Substance Name: Cholesteryl linolenate
RN: 2545-22-4
InChIKey: FYMCIBHUFSIWCE-WVXFKAQASA-N

Molecular Formula

  • C45-H74-O2

Molecular Weight

  • 647.078
 
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Names and Synonyms

Name of Substance

  • Cholesteryl linolenate

Synonym

  • EINECS 219-824-9

Systematic Names

  • Cholest-5-en-3-ol (3beta)-, (9Z,12Z,15Z)-9,12,15-octadecatrienoate
  • Cholest-5-en-3-ol (3beta)-, 3-((9Z,12Z,15Z)-9,12,15-octadecatrienoate)
  • Cholest-5-en-3beta-yl (Z,Z,Z)-octadeca-9,12,15-trien-1-oate

Registry Numbers

CAS Registry Number

  • 2545-22-4

System Generated Number

  • 0002545224

Structure Descriptors

InChI

1S/C45H74O2/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/h8-9,11-12,14-15,26,35-36,38-42H,7,10,13,16-25,27-34H2,1-6H3/b9-8-,12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

InChIKey

FYMCIBHUFSIWCE-WVXFKAQASA-N

Smiles

O=C(CCCCCCC\C=C/C\C=C/C\C=C/CC)O[C@H]1CC[C@@]2(C(=CC[C@H]3[C@H]4[C@@]([C@H](CC4)[C@@H](CCCC(C)C)C)(CC[C@H]23)C)C1)C