CID 131776646

Tg(a-25:0/i-24:0/i-24:0)[rac]

Structural Information

Molecular Formula
C76H148O6
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C76H148O6/c1-7-72(6)64-58-52-46-40-34-28-22-16-10-13-18-24-30-36-42-48-54-60-66-75(78)81-69-73(82-76(79)67-61-55-49-43-37-31-25-19-12-9-15-21-27-33-39-45-51-57-63-71(4)5)68-80-74(77)65-59-53-47-41-35-29-23-17-11-8-14-20-26-32-38-44-50-56-62-70(2)3/h70-73H,7-69H2,1-6H3/t72?,73-/m0/s1
InChIKey
BIDWUDPYIUODNV-JWWNQNKGSA-N
Compound name
[(2S)-2,3-bis(22-methyltricosanoyloxy)propyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1157.1276 Da
Monoisotopic Mass

34.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1158.1349 386.4
[M+Na]+ 1180.1168 383.1
[M+NH4]+ 1175.1614 390.4
[M+K]+ 1196.0908 391.2
[M-H]- 1156.1203 364.8
[M+Na-2H]- 1178.1023 374.7
[M]+ 1157.1271 382.0
[M]- 1157.1281 382.0
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.