CID 131755694

1-palmitoyl-2-stearyl-3-behenoyl-glycerol

Structural Information

Molecular Formula
C59H116O5
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C59H116O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-35-38-41-44-47-50-53-59(61)64-56-57(55-63-58(60)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)62-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m0/s1
InChIKey
YALMUBMISFSNCI-SMWREMLRSA-N
Compound name
[(2S)-3-hexadecanoyloxy-2-octadecoxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

904.88226 Da
Monoisotopic Mass

26.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 905.88954 333.6
[M+Na]+ 927.87148 331.7
[M+NH4]+ 922.91608 334.3
[M+K]+ 943.84542 336.2
[M-H]- 903.87498 311.1
[M+Na-2H]- 925.85693 325.1
[M]+ 904.88171 328.2
[M]- 904.88281 328.2
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.