CID 131790816
Cl(i-13:0/i-13:0/i-15:0/i-12:0)
Structural Information
- Molecular Formula
- C62H120O17P2
- SMILES
- CC(C)CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C)O)OC(=O)CCCCCCCCC(C)C
- InChI
- InChI=1S/C62H120O17P2/c1-52(2)38-30-22-14-10-9-11-17-26-34-42-59(64)72-49-58(79-62(67)45-37-29-21-20-25-33-41-55(7)8)51-77-81(70,71)75-47-56(63)46-74-80(68,69)76-50-57(78-61(66)44-36-28-19-13-16-24-32-40-54(5)6)48-73-60(65)43-35-27-18-12-15-23-31-39-53(3)4/h52-58,63H,9-51H2,1-8H3,(H,68,69)(H,70,71)/t56?,57-,58-/m1/s1
- InChIKey
- VQVYJNOIAJTZQX-ZNQDIUBPSA-N
- Compound name
- [(2R)-3-[[3-[[(2R)-2,3-bis(11-methyldodecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-(10-methylundecanoyloxy)propyl] 13-methyltetradecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1199.8073 | 369.3 |
[M+Na]+ | 1221.7892 | 365.5 |
[M+NH4]+ | 1216.8338 | 384.1 |
[M+K]+ | 1237.7632 | 373.9 |
[M-H]- | 1197.7927 | 365.7 |
[M+Na-2H]- | 1219.7747 | 364.2 |
[M]+ | 1198.7995 | 370.9 |
[M]- | 1198.8005 | 370.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.