CID 131760606
1-oleoyl-2-lignoceroyl-3-erucoyl-glycerol
Structural Information
- Molecular Formula
- C67H126O6
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
- InChI
- InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,38,64H,4-25,28,30-37,39-63H2,1-3H3/b29-26-,38-27-/t64-/m0/s1
- InChIKey
- DEBNXHNUVORXAK-GNYVGGGLSA-N
- Compound name
- [(2R)-1-[(Z)-docos-13-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] tetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1027.9627 | 355.9 |
[M+Na]+ | 1049.9446 | 354.2 |
[M+NH4]+ | 1044.9892 | 357.7 |
[M+K]+ | 1065.9186 | 360.2 |
[M-H]- | 1025.9481 | 334.8 |
[M+Na-2H]- | 1047.9301 | 346.5 |
[M]+ | 1026.9549 | 351.3 |
[M]- | 1026.9559 | 351.3 |
Literature stripe
Patent stripe
No patent data available for this compound.