CID 17754184

Db01998

Structural Information

Molecular Formula
C20H38O11
SMILES
CCCCCCC[C@H](C[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)O
InChI
InChI=1S/C20H38O11/c1-2-3-4-5-6-7-11(23)8-12-15(25)18(28)20(10-22,30-12)31-19-17(27)16(26)14(24)13(9-21)29-19/h11-19,21-28H,2-10H2,1H3/t11-,12-,13-,14-,15-,16+,17-,18+,19-,20+/m1/s1
InChIKey
IMFJFQAURAFEAH-ZLSOQEJISA-N
Compound name
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R)-2-hydroxynonyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.24142 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.24870 204.7
[M+Na]+ 477.23064 204.9
[M-H]- 453.23414 200.8
[M+NH4]+ 472.27524 209.2
[M+K]+ 493.20458 204.8
[M+H-H2O]+ 437.23868 200.0
[M+HCOO]- 499.23962 207.1
[M+CH3COO]- 513.25527 219.9
[M+Na-2H]- 475.21609 199.1
[M]+ 454.24087 205.3
[M]- 454.24197 205.3
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.