CID 131753694
Tg(14:0/18:3(6z,9z,12z)/18:3(6z,9z,12z))
Structural Information
- Molecular Formula
- C53H90O6
- SMILES
- CCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,31-32,34-35,50H,4-15,18,21-23,28-30,33,36-49H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,34-31-,35-32-/t50-/m0/s1
- InChIKey
- MIWSFRYSZLVSKM-LJPSAVJSSA-N
- Compound name
- [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-tetradecanoyloxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 823.68105 | 306.0 |
[M+Na]+ | 845.66299 | 307.5 |
[M+NH4]+ | 840.70759 | 308.1 |
[M+K]+ | 861.63693 | 310.3 |
[M-H]- | 821.66649 | 292.4 |
[M+Na-2H]- | 843.64844 | 302.4 |
[M]+ | 822.67322 | 303.5 |
[M]- | 822.67432 | 303.5 |
Literature stripe
Patent stripe
No patent data available for this compound.