CID 131755878

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

Structural Information

Molecular Formula
C63H124O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h61H,4-60H2,1-3H3/t61-/m1/s1
InChIKey
FRAIFIHPDWQCHS-QRXDBQBNSA-N
Compound name
[(2R)-1-octadecanoyloxy-3-octadecoxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

960.9449 Da
Monoisotopic Mass

28.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 961.95218 345.1
[M+Na]+ 983.93412 342.9
[M+NH4]+ 978.97872 345.7
[M+K]+ 999.90806 348.1
[M-H]- 959.93762 321.4
[M+Na-2H]- 981.91957 335.5
[M]+ 960.94435 339.4
[M]- 960.94545 339.4
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.