CID 92136207

3-[alpha-d-galactosyl-(1->6)-beta-d-galactosyl]-2-octoanoyl-sn-glycerol

Structural Information

Molecular Formula
C23H42O14
SMILES
CCCCCCCC(=O)O[C@H](CO)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O
InChI
InChI=1S/C23H42O14/c1-2-3-4-5-6-7-15(26)35-12(8-24)10-33-22-21(32)19(30)17(28)14(37-22)11-34-23-20(31)18(29)16(27)13(9-25)36-23/h12-14,16-25,27-32H,2-11H2,1H3/t12-,13-,14-,16+,17+,18+,19+,20-,21-,22-,23+/m1/s1
InChIKey
UVNIQDKRRGDKJW-JNGHOCHBSA-N
Compound name
[(2R)-1-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.25745 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.26473 223.5
[M+Na]+ 565.24667 223.4
[M+NH4]+ 560.29127 229.4
[M+K]+ 581.22061 229.3
[M-H]- 541.25017 231.1
[M+Na-2H]- 563.23212 213.6
[M]+ 542.25690 220.9
[M]- 542.25800 220.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.