CID 154572834
Tego care 450
Structural Information
- Molecular Formula
- C51H98O14
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(COCC(COCC(COC(=O)CCCCCCCCCCCCCCCCC)O)O)O)O)O)O
- InChI
- InChI=1S/C51H98O14/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-46(55)62-39-43(53)37-60-35-42(52)36-61-38-44(54)40-64-51-50(59)49(58)48(57)45(65-51)41-63-47(56)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-45,48-54,57-59H,3-41H2,1-2H3/t42?,43?,44?,45-,48-,49+,50-,51+/m1/s1
- InChIKey
- FRGAIZLZPOROJH-BKIJVIAGSA-N
- Compound name
- [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-octadecanoyloxypropoxy)propoxy]propoxy]oxan-2-yl]methyl octadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 935.70298 | 324.2 |
[M+Na]+ | 957.68492 | 320.0 |
[M-H]- | 933.68842 | 314.9 |
[M+NH4]+ | 952.72952 | 326.0 |
[M+K]+ | 973.65886 | 327.0 |
[M+H-H2O]+ | 917.69296 | 322.0 |
[M+HCOO]- | 979.69390 | 316.3 |
[M+CH3COO]- | 993.70955 | 310.7 |
[M+Na-2H]- | 955.67037 | 297.1 |
[M]+ | 934.69515 | 324.1 |
[M]- | 934.69625 | 324.1 |
Literature stripe
No literature data available for this compound.