CID 131782950
Cl(i-13:0/i-19:0/a-17:0/i-12:0)[rac]
Structural Information
- Molecular Formula
- C70H136O17P2
- SMILES
- CCC(C)CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C)O)OC(=O)CCCCCCCCC(C)C
- InChI
- InChI=1S/C70H136O17P2/c1-9-63(8)49-41-33-24-18-15-16-19-25-34-42-50-67(72)80-57-66(87-70(75)53-45-37-29-28-32-40-48-62(6)7)59-85-89(78,79)83-55-64(71)54-82-88(76,77)84-58-65(56-81-68(73)51-43-35-27-21-23-31-39-47-61(4)5)86-69(74)52-44-36-26-20-14-12-10-11-13-17-22-30-38-46-60(2)3/h60-66,71H,9-59H2,1-8H3,(H,76,77)(H,78,79)/t63?,64?,65-,66-/m1/s1
- InChIKey
- CPGIXYHIJLYTLG-YEAKFCHLSA-N
- Compound name
- [(2R)-1-[hydroxy-[2-hydroxy-3-[hydroxy-[(2R)-3-(14-methylhexadecanoyloxy)-2-(10-methylundecanoyloxy)propoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(11-methyldodecanoyloxy)propan-2-yl] 17-methyloctadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1311.9326 | 415.4 |
[M+Na]+ | 1333.9145 | 409.6 |
[M-H]- | 1309.9180 | 411.7 |
[M+NH4]+ | 1328.9591 | 437.8 |
[M+K]+ | 1349.8885 | 426.8 |
[M+H-H2O]+ | 1293.9226 | 399.1 |
[M+HCOO]- | 1355.9235 | 384.5 |
[M+CH3COO]- | 1369.9392 | 362.9 |
[M+Na-2H]- | 1331.9000 | 381.6 |
[M]+ | 1310.9248 | 438.2 |
[M]- | 1310.9258 | 438.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.