CID 131757921

1-lignoceroyl-2-stearoyl-3-lignoceroyl-glycerol

Structural Information

Molecular Formula
C69H134O6
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3
InChIKey
AVEBWBXQSHVLMI-UHFFFAOYSA-N
Compound name
(2-octadecanoyloxy-3-tetracosanoyloxypropyl) tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1059.0181 Da
Monoisotopic Mass

31.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1060.0254 364.3
[M+Na]+ 1082.0073 361.6
[M+NH4]+ 1077.0519 366.0
[M+K]+ 1097.9813 368.3
[M-H]- 1058.0108 341.1
[M+Na-2H]- 1079.9928 353.6
[M]+ 1059.0176 359.0
[M]- 1059.0186 359.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.