CID 46926092
Dtxsid601343831
Structural Information
- Molecular Formula
- C80H132O7P2
- SMILES
- CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
- InChI
- InChI=1S/C80H132O7P2/c1-65(2)33-18-34-66(3)35-19-36-67(4)37-20-38-68(5)39-21-40-69(6)41-22-42-70(7)43-23-44-71(8)45-24-46-72(9)47-25-48-73(10)49-26-50-74(11)51-27-52-75(12)53-28-54-76(13)55-29-56-77(14)57-30-58-78(15)59-31-60-79(16)61-32-62-80(17)63-64-86-89(84,85)87-88(81,82)83/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63H,18-32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64H2,1-17H3,(H,84,85)(H2,81,82,83)/b66-35+,67-37+,68-39-,69-41-,70-43-,71-45-,72-47-,73-49-,74-51-,75-53-,76-55-,77-57-,78-59-,79-61-,80-63-
- InChIKey
- TUNIPIPDJADHSR-HIQRJCTMSA-N
- Compound name
- [(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-hexadecaenyl] phosphono hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1267.9521 | 336.4 |
[M+Na]+ | 1289.9340 | 344.0 |
[M-H]- | 1265.9375 | 340.9 |
[M+NH4]+ | 1284.9786 | 363.3 |
[M+K]+ | 1305.9080 | 363.6 |
[M+H-H2O]+ | 1249.9421 | 323.5 |
[M+HCOO]- | 1311.9430 | 304.6 |
[M+CH3COO]- | 1325.9587 | 363.0 |
[M+Na-2H]- | 1287.9195 | 317.8 |
[M]+ | 1266.9443 | 347.9 |
[M]- | 1266.9453 | 347.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.