CID 87976207
Methyl glucose dioleate
Structural Information
- Molecular Formula
- C43H78O8
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]([C@@H]([C@@H](CO)O)O)[C@H](C(=O)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
- InChI
- InChI=1S/C43H78O8/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39(47)50-42(37(3)45)43(41(49)38(46)36-44)51-40(48)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,38,41-44,46,49H,4-17,22-36H2,1-3H3/b20-18-,21-19-/t38-,41-,42+,43+/m1/s1
- InChIKey
- YUBCKFPRINZQFK-NTKGQEBVSA-N
- Compound name
- [(2R,3R,4S,5R)-1,2,3-trihydroxy-5-[(Z)-octadec-9-enoyl]oxy-6-oxoheptan-4-yl] (Z)-octadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 723.57692 | 276.3 |
[M+Na]+ | 745.55886 | 279.7 |
[M-H]- | 721.56236 | 268.8 |
[M+NH4]+ | 740.60346 | 283.0 |
[M+K]+ | 761.53280 | 284.9 |
[M+H-H2O]+ | 705.56690 | 276.2 |
[M+HCOO]- | 767.56784 | 264.8 |
[M+CH3COO]- | 781.58349 | 280.3 |
[M+Na-2H]- | 743.54431 | 258.5 |
[M]+ | 722.56909 | 274.7 |
[M]- | 722.57019 | 274.7 |