CID 131790965
Cl(a-13:0/i-13:0/i-16:0/i-13:0)[rac]
Structural Information
- Molecular Formula
- C64H124O17P2
- SMILES
- CCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C)O)OC(=O)CCCCCCCCCC(C)C
- InChI
- InChI=1S/C64H124O17P2/c1-9-57(8)43-35-27-22-23-29-37-45-62(67)75-51-60(81-64(69)47-39-31-21-15-18-26-34-42-56(6)7)53-79-83(72,73)77-49-58(65)48-76-82(70,71)78-52-59(80-63(68)46-38-30-20-14-17-25-33-41-55(4)5)50-74-61(66)44-36-28-19-13-11-10-12-16-24-32-40-54(2)3/h54-60,65H,9-53H2,1-8H3,(H,70,71)(H,72,73)/t57?,58-,59-,60-/m1/s1
- InChIKey
- RGUZKFYWZUIMHO-QUCVKXQRSA-N
- Compound name
- [(2R)-3-[hydroxy-[(2R)-2-hydroxy-3-[hydroxy-[(2R)-3-(10-methyldodecanoyloxy)-2-(11-methyldodecanoyloxy)propoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-(11-methyldodecanoyloxy)propyl] 14-methylpentadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1227.8387 | 399.7 |
[M+Na]+ | 1249.8206 | 394.7 |
[M-H]- | 1225.8241 | 398.1 |
[M+NH4]+ | 1244.8652 | 421.9 |
[M+K]+ | 1265.7946 | 409.7 |
[M+H-H2O]+ | 1209.8287 | 383.6 |
[M+HCOO]- | 1271.8296 | 370.7 |
[M+CH3COO]- | 1285.8453 | 351.8 |
[M+Na-2H]- | 1247.8061 | 367.5 |
[M]+ | 1226.8309 | 419.8 |
[M]- | 1226.8319 | 419.8 |
Literature stripe
Patent stripe
No patent data available for this compound.