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

compound 2d structure
2
Annotation Hits

0
References

0
Patents

674.5485 Da
Monoisotopic Mass

14.5
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.