CID 131775190
Tg(i-22:0/i-22:0/i-16:0)
Structural Information
- Molecular Formula
- C63H122O6
- SMILES
- CC(C)CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
- InChI
- InChI=1S/C63H122O6/c1-57(2)49-43-37-31-25-19-15-11-7-9-13-17-21-28-34-40-46-52-61(64)67-55-60(56-68-62(65)53-47-41-35-29-24-23-27-33-39-45-51-59(5)6)69-63(66)54-48-42-36-30-22-18-14-10-8-12-16-20-26-32-38-44-50-58(3)4/h57-60H,7-56H2,1-6H3/t60-/m0/s1
- InChIKey
- DOODTMFEAZOWEQ-WDLSKMLESA-N
- Compound name
- [(2S)-2-(20-methylhenicosanoyloxy)-3-(14-methylpentadecanoyloxy)propyl] 20-methylhenicosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 975.93141 | 350.4 |
[M+Na]+ | 997.91335 | 348.2 |
[M+NH4]+ | 992.95795 | 354.8 |
[M+K]+ | 1013.8873 | 353.8 |
[M-H]- | 973.91685 | 332.7 |
[M+Na-2H]- | 995.89880 | 342.2 |
[M]+ | 974.92358 | 346.8 |
[M]- | 974.92468 | 346.8 |
Literature stripe
Patent stripe
No patent data available for this compound.