CID 122706530

O-methyl-4-o-[2-o-methyl-alpha-l-fucopyranosyl-(1->3)-alpha-l-rhamnopyranosyl-(1->3)-2-o-methyl-alpha-l-rhamnopyranosyl]-hydroxybenzoate

Structural Information

Molecular Formula
C28H42O15
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](O[C@H]([C@@H]3OC)OC4=CC=C(C=C4)C(=O)OC)C)O)C)O)OC)O)O
InChI
InChI=1S/C28H42O15/c1-11-16(29)19(32)23(35-4)27(39-11)42-21-17(30)12(2)38-26(20(21)33)43-22-18(31)13(3)40-28(24(22)36-5)41-15-9-7-14(8-10-15)25(34)37-6/h7-13,16-24,26-33H,1-6H3/t11-,12-,13-,16+,17-,18-,19+,20+,21+,22+,23-,24+,26-,27-,28-/m0/s1
InChIKey
LPVDUZISXSXHBM-DMGADHFWSA-N
Compound name
methyl 4-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5S,6S)-4-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

618.2524 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.25968 243.4
[M+Na]+ 641.24162 243.0
[M+NH4]+ 636.28622 242.4
[M+K]+ 657.21556 247.9
[M-H]- 617.24512 235.6
[M+Na-2H]- 639.22707 262.0
[M]+ 618.25185 240.5
[M]- 618.25295 240.5
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.