CID 131801758

1-stearoyl-3-lignoceroyl-sn-glycerol

Structural Information

Molecular Formula
C45H88O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)O
InChI
InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3/t43-/m1/s1
InChIKey
SDNZSRFQLZDKSH-VZUYHUTRSA-N
Compound name
[(2R)-2-hydroxy-3-octadecanoyloxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

708.66315 Da
Monoisotopic Mass

19.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 709.67043 289.0
[M+Na]+ 731.65237 288.5
[M+NH4]+ 726.69697 289.4
[M+K]+ 747.62631 290.1
[M-H]- 707.65587 271.2
[M+Na-2H]- 729.63782 284.8
[M]+ 708.66260 284.4
[M]- 708.66370 284.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.