CID 6438037

Sucrose, 6'-oleate

Structural Information

Molecular Formula
C30H54O12
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI
InChI=1S/C30H54O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)39-19-22-25(35)28(38)30(20-32,41-22)42-29-27(37)26(36)24(34)21(18-31)40-29/h9-10,21-22,24-29,31-32,34-38H,2-8,11-20H2,1H3/b10-9-/t21-,22-,24-,25-,26+,27-,28+,29-,30+/m1/s1
InChIKey
PADFJAZLOZIRQH-JSJITEFISA-N
Compound name
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

606.3615 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.36878 245.8
[M+Na]+ 629.35072 243.9
[M+NH4]+ 624.39532 239.5
[M+K]+ 645.32466 241.5
[M-H]- 605.35422 238.0
[M+Na-2H]- 627.33617 237.0
[M]+ 606.36095 241.8
[M]- 606.36205 241.8
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

patents stripe