CID 9544375

1,2-diheptadecanoyl-3-docosanoyl-sn-glycerol

Structural Information

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

2D Structure

compound 2d structure
3
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 335.8
[M+Na]+ 941.85072 334.0
[M+NH4]+ 936.89532 337.8
[M+K]+ 957.82466 338.7
[M-H]- 917.85422 315.7
[M+Na-2H]- 939.83617 327.9
[M]+ 918.86095 331.2
[M]- 918.86205 331.2
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.