CID 97289723

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

Structural Information

Molecular Formula
C57H112O5
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m1/s1
InChIKey
JLOBYDSBVACMBK-KZRJWCEASA-N
Compound name
[(2R)-2-octadecanoyloxy-3-octadecoxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

876.85095 Da
Monoisotopic Mass

25.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 877.85823 327.7
[M+Na]+ 899.84017 326.0
[M+NH4]+ 894.88477 328.5
[M+K]+ 915.81411 330.1
[M-H]- 875.84367 305.8
[M+Na-2H]- 897.82562 319.8
[M]+ 876.85040 322.4
[M]- 876.85150 322.4
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.