CID 71245406

17-(beta-d-glucosyloxy)oleate

Structural Information

Molecular Formula
C24H44O8
SMILES
CC(CCCCCC/C=C\CCCCCCCC(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C24H44O8/c1-18(31-24-23(30)22(29)21(28)19(17-25)32-24)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-20(26)27/h2-3,18-19,21-25,28-30H,4-17H2,1H3,(H,26,27)/b3-2-/t18?,19-,21-,22+,23-,24-/m1/s1
InChIKey
URYIEBAECVJCIQ-GBUXOBLISA-N
Compound name
(Z)-17-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

460.30362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.31090 215.9
[M+Na]+ 483.29284 218.5
[M+NH4]+ 478.33744 217.4
[M+K]+ 499.26678 216.1
[M-H]- 459.29634 211.8
[M+Na-2H]- 481.27829 209.3
[M]+ 460.30307 214.2
[M]- 460.30417 214.2
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