CID 9543705

1,2-distearoyl-sn-glycerol

Structural Information

Molecular Formula
C39H76O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1
InChIKey
UHUSDOQQWJGJQS-QNGWXLTQSA-N
Compound name
[(2S)-3-hydroxy-2-octadecanoyloxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

20044
Patents

624.5693 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.57658 269.5
[M+Na]+ 647.55852 269.6
[M+NH4]+ 642.60312 270.2
[M+K]+ 663.53246 270.0
[M-H]- 623.56202 253.7
[M+Na-2H]- 645.54397 267.2
[M]+ 624.56875 265.4
[M]- 624.56985 265.4
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

patents stripe