CID 171666156
Gmgt-0
Structural Information
- Molecular Formula
- C86H170O6
- SMILES
- CC1CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC2CCCC(CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC(CCC1)C)CC2)C)C)C)CO)C)C)C)C)C)C)C)CO)C)C
- InChI
- InChI=1S/C86H170O6/c1-69-27-15-29-71(3)37-21-43-79(11)57-61-89-67-85(65-87)91-63-59-81(13)45-23-39-73(5)30-16-28-70(2)36-20-42-78(10)52-53-83-49-25-47-75(7)33-17-31-72(4)38-22-44-80(12)58-62-90-68-86(66-88)92-64-60-82(14)46-24-40-74(6)32-18-34-76(8)48-26-50-84(56-55-83)54-51-77(9)41-19-35-69/h69-88H,15-68H2,1-14H3
- InChIKey
- SUAYXMARQJEBDT-UHFFFAOYSA-N
- Compound name
- [56-(hydroxymethyl)-4,8,12,16,25,29,33,37,44,48,52,61,65,69-tetradecamethyl-19,22,55,58-tetraoxabicyclo[38.32.2]tetraheptacontan-20-yl]methanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1300.3070 | 399.6 |
[M+Na]+ | 1322.2889 | 397.2 |
[M+NH4]+ | 1317.3335 | 397.5 |
[M+K]+ | 1338.2629 | 398.0 |
[M-H]- | 1298.2924 | 393.1 |
[M+Na-2H]- | 1320.2744 | 406.6 |
[M]+ | 1299.2992 | 397.7 |
[M]- | 1299.3002 | 397.7 |
Literature stripe
Patent stripe
No patent data available for this compound.