CID 53478414
Dg(22:2(13z,16z)/18:2(9z,12z)/0:0)
Structural Information
- Molecular Formula
- C43H76O5
- SMILES
- CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,41,44H,3-10,15-16,20-22,24-40H2,1-2H3/b13-11-,14-12-,19-17-,23-18-/t41-/m0/s1
- InChIKey
- HCTGXWJRDDNPHS-AFRYFLNXSA-N
- Compound name
- [(2S)-3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 673.57658 | 273.8 |
[M+Na]+ | 695.55852 | 275.4 |
[M+NH4]+ | 690.60312 | 274.2 |
[M+K]+ | 711.53246 | 276.1 |
[M-H]- | 671.56202 | 259.8 |
[M+Na-2H]- | 693.54397 | 272.0 |
[M]+ | 672.56875 | 270.5 |
[M]- | 672.56985 | 270.5 |
Literature stripe
Patent stripe
No patent data available for this compound.