CID 131788251
Cl(i-12:0/i-20:0/i-18:0/a-21:0)[rac]
Structural Information
- Molecular Formula
- C80H156O17P2
- SMILES
- CCC(C)CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC(C)C)COP(=O)(O)OCC(COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C)O
- InChI
- InChI=1S/C80H156O17P2/c1-9-73(8)59-51-43-34-28-22-15-11-13-17-25-31-37-47-55-62-79(84)96-75(66-90-77(82)60-52-44-35-29-23-19-18-21-27-33-41-49-57-71(4)5)68-94-98(86,87)92-64-74(81)65-93-99(88,89)95-69-76(67-91-78(83)61-53-45-39-38-42-50-58-72(6)7)97-80(85)63-54-46-36-30-24-16-12-10-14-20-26-32-40-48-56-70(2)3/h70-76,81H,9-69H2,1-8H3,(H,86,87)(H,88,89)/t73?,74?,75-,76-/m1/s1
- InChIKey
- LCIUOBBHPWDJGH-SQLWGUFBSA-N
- Compound name
- [(2R)-1-[hydroxy-[2-hydroxy-3-[hydroxy-[(2R)-2-(18-methylnonadecanoyloxy)-3-(10-methylundecanoyloxy)propoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(16-methylheptadecanoyloxy)propan-2-yl] 18-methylicosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1452.0891 | 439.8 |
[M+Na]+ | 1474.0710 | 432.8 |
[M-H]- | 1450.0745 | 432.7 |
[M+NH4]+ | 1469.1156 | 462.4 |
[M+K]+ | 1490.0450 | 453.6 |
[M+H-H2O]+ | 1434.0791 | 423.3 |
[M+HCOO]- | 1496.0800 | 405.9 |
[M+CH3COO]- | 1510.0957 | 379.7 |
[M+Na-2H]- | 1472.0565 | 403.6 |
[M]+ | 1451.0813 | 467.4 |
[M]- | 1451.0823 | 467.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.