Cholesteryl linolenate

CAS Registry Number®

2545-22-4

CAS Name

Cholesteryl linolenate

Molecular Formula

C45H74O2

Molecular Mass

647.07

Cite this Page

Cholesteryl linolenate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2545-22-4 (retrieved 2024-10-05) (CAS RN: 2545-22-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=FYMCIBHUFSIWCE-WVXFKAQASA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(CC=C1C[C@@H](OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCC=CCC=CCC=CCC

Other Names for this Substance

  • Cholest-5-en-3-ol (3β)-, 3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoate]
  • Cholesterol, linolenate
  • Linolenic acid, cholesteryl ester
  • Cholest-5-en-3-ol (3β)-, 9,12,15-octadecatrienoate, (Z,Z,Z)-
  • Cholest-5-en-3-ol (3β)-, (9Z,12Z,15Z)-9,12,15-octadecatrienoate

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