CID 131758543
1-lignoceroyl-2-stearyl-3-lignoceroyl-glycerol
Structural Information
- Molecular Formula
- C69H136O5
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
- InChI
- InChI=1S/C69H136O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-44-47-50-53-56-59-62-68(70)73-65-67(72-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)66-74-69(71)63-60-57-54-51-48-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h67H,4-66H2,1-3H3
- InChIKey
- RHMNTSGGJSQXBY-UHFFFAOYSA-N
- Compound name
- (2-octadecoxy-3-tetracosanoyloxypropyl) tetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1046.0461 | 359.3 |
[M+Na]+ | 1068.0280 | 359.5 |
[M-H]- | 1044.0315 | 333.5 |
[M+NH4]+ | 1063.0726 | 363.6 |
[M+K]+ | 1084.0020 | 374.4 |
[M+H-H2O]+ | 1028.0361 | 357.6 |
[M+HCOO]- | 1090.0370 | 351.0 |
[M+CH3COO]- | 1104.0527 | 346.0 |
[M+Na-2H]- | 1066.0135 | 331.4 |
[M]+ | 1045.0383 | 362.4 |
[M]- | 1045.0393 | 362.4 |
Literature stripe
Patent stripe
No patent data available for this compound.