CID 9544304

1,2-dioctadecanoyl-3-eicosanoyl-sn-glycerol

Structural Information

Molecular Formula
C59H114O6
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C59H114O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m1/s1
InChIKey
JFGIMQPGGNOOHN-LXXIDKMWSA-N
Compound name
[(2R)-2,3-di(octadecanoyloxy)propyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

918.8615 Da
Monoisotopic Mass

26.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 919.86878 331.1
[M+Na]+ 941.85072 333.5
[M-H]- 917.85422 311.8
[M+NH4]+ 936.89532 337.9
[M+K]+ 957.82466 344.3
[M+H-H2O]+ 901.85876 331.0
[M+HCOO]- 963.85970 324.5
[M+CH3COO]- 977.87535 323.6
[M+Na-2H]- 939.83617 307.3
[M]+ 918.86095 333.5
[M]- 918.86205 333.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.