CID 86289853
1355682-83-5
Structural Information
- Molecular Formula
- C23H44O7
- SMILES
- C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCCC[C@H](CC(=O)O)O)O)O
- InChI
- InChI=1S/C23H44O7/c1-18-20(25)17-21(26)23(30-18)29-15-13-11-9-7-5-3-2-4-6-8-10-12-14-19(24)16-22(27)28/h18-21,23-26H,2-17H2,1H3,(H,27,28)/t18-,19+,20+,21+,23+/m0/s1
- InChIKey
- AVROBGCULUIOHS-QBRBXANFSA-N
- Compound name
- (3R)-17-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyheptadecanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 433.31600 | 211.3 |
[M+Na]+ | 455.29794 | 209.7 |
[M-H]- | 431.30144 | 207.0 |
[M+NH4]+ | 450.34254 | 216.7 |
[M+K]+ | 471.27188 | 207.3 |
[M+H-H2O]+ | 415.30598 | 203.5 |
[M+HCOO]- | 477.30692 | 219.3 |
[M+CH3COO]- | 491.32257 | 223.9 |
[M+Na-2H]- | 453.28339 | 204.4 |
[M]+ | 432.30817 | 214.5 |
[M]- | 432.30927 | 214.5 |