CID 6436335

1,4:3,6-dianhydro-d-glucitol dioleate

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 265.3
[M+Na]+ 697.53772 266.8
[M+NH4]+ 692.58232 263.4
[M+K]+ 713.51166 266.4
[M-H]- 673.54122 251.0
[M+Na-2H]- 695.52317 264.0
[M]+ 674.54795 261.9
[M]- 674.54905 261.9
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.