CID 131754923

1-pentadecanoyl-2-stearyl-3-behenoyl-glycerol

Structural Information

Molecular Formula
C58H114O5
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C58H114O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h56H,4-55H2,1-3H3/t56-/m0/s1
InChIKey
XMJCGNMQBRRACU-UWGNJQTFSA-N
Compound name
[(2S)-2-octadecoxy-3-pentadecanoyloxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

890.86664 Da
Monoisotopic Mass

26.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 891.87392 330.7
[M+Na]+ 913.85586 328.9
[M+NH4]+ 908.90046 331.4
[M+K]+ 929.82980 333.1
[M-H]- 889.85936 308.5
[M+Na-2H]- 911.84131 322.5
[M]+ 890.86609 325.3
[M]- 890.86719 325.3
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.