CID 6436335
D-glucitol, 1,4:3,6-dianhydro-, di-9-octadecenoate, (z,z)-
Structural Information
- Molecular Formula
- C42H74O6
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1[C@@H]2OC[C@@H]([C@@H]2OC1)OC(=O)CCCCCCC/C=C\CCCCCCCC
- InChI
- InChI=1S/C42H74O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)47-37-35-45-42-38(36-46-41(37)42)48-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37-38,41-42H,3-16,21-36H2,1-2H3/b19-17-,20-18-/t37-,38-,41-,42-/m0/s1
- InChIKey
- NSDNRRCEYUFXNV-QENQCKDTSA-N
- Compound name
- [(3S,3aS,6S,6aS)-6-[(Z)-octadec-9-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-octadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 675.55578 | 290.4 |
[M+Na]+ | 697.53772 | 286.3 |
[M-H]- | 673.54122 | 262.7 |
[M+NH4]+ | 692.58232 | 279.7 |
[M+K]+ | 713.51166 | 277.8 |
[M+H-H2O]+ | 657.54576 | 281.7 |
[M+HCOO]- | 719.54670 | 293.8 |
[M+CH3COO]- | 733.56235 | 276.0 |
[M+Na-2H]- | 695.52317 | 275.7 |
[M]+ | 674.54795 | 275.8 |
[M]- | 674.54905 | 275.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.