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Substance Name: 13-Docosenoic acid, 1,2,3-propanetriyl ester
RN: 2752-99-0
UNII: I0IDQ0M20R
InChIKey: XDSPGKDYYRNYJI-IUPFWZBJSA-N

Molecular Formula

  • C69-H128-O6

Molecular Weight

  • 1053.76
 
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Names and Synonyms

Name of Substance

  • 1,2,3-Propanetriol tri(13-docosenoate)
  • 13-Docosenoic acid, 1,2,3-propanetriyl ester
  • Glyceryl trierucate
  • Lorenzo's oil
  • Trierucate
  • Trierucin

Synonyms

  • EINECS 220-399-7
  • Erucic acid triglyceride
  • Erucin, tri-
  • Glycerol trierucate
  • Lorenzo oil
  • Tri(Z-13-docosenoyl)glycerol
  • Trierucin
  • UNII-I0IDQ0M20R

Systematic Name

  • Propane-1,2,3-triyl tris((Z)-docos-13-enoate)

Registry Numbers

CAS Registry Number

  • 2752-99-0

FDA UNII

  • I0IDQ0M20R

System Generated Number

  • 0002752990

Structure Descriptors

InChI

1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26-,30-27-

InChIKey

XDSPGKDYYRNYJI-IUPFWZBJSA-N

Smiles

C(OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(=O)CCCCCCCCCCC\C=C/CCCCCCCC