CID 91855034

Rha(a1-3)gal(a1-3)fuc

Structural Information

Molecular Formula
C18H32O14
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)O[C@@H]3[C@@H]([C@@H](OC([C@H]3O)O)C)O)CO)O)O)O)O
InChI
InChI=1S/C18H32O14/c1-4-7(20)10(23)11(24)17(29-4)32-15-9(22)6(3-19)30-18(13(15)26)31-14-8(21)5(2)28-16(27)12(14)25/h4-27H,3H2,1-2H3/t4-,5-,6+,7-,8+,9-,10+,11+,12-,13+,14+,15-,16?,17-,18+/m0/s1
InChIKey
JUZCTRWLASLKLG-PTIVJGTMSA-N
Compound name
(3S,4R,5R,6S)-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxane-2,3,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.1792 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.18648 205.3
[M+Na]+ 495.16842 208.7
[M+NH4]+ 490.21302 208.0
[M+K]+ 511.14236 214.1
[M-H]- 471.17192 200.5
[M+Na-2H]- 493.15387 226.2
[M]+ 472.17865 205.8
[M]- 472.17975 205.8
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

No patent data available for this compound.