CID 467536

N-octyl-4-o(2,3,5,6-tetra-o-acetyl-beta-d-galactofuranosyl)-alpha-l-rhamnopyranoside

Structural Information

Molecular Formula
C28H46O14
SMILES
CCCCCCCCO[C@H]1C(C([C@H](C(O1)C)O[C@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O)O
InChI
InChI=1S/C28H46O14/c1-7-8-9-10-11-12-13-35-27-22(34)21(33)23(15(2)37-27)41-28-26(40-19(6)32)25(39-18(5)31)24(42-28)20(38-17(4)30)14-36-16(3)29/h15,20-28,33-34H,7-14H2,1-6H3/t15?,20-,21?,22?,23+,24+,25+,26-,27-,28-/m1/s1
InChIKey
NQFDGNLVPSXQBP-DGWWUEIHSA-N
Compound name
[(2R)-2-acetyloxy-2-[(2S,3S,4R,5R)-3,4-diacetyloxy-5-[(3R,6R)-4,5-dihydroxy-2-methyl-6-octoxyoxan-3-yl]oxyoxolan-2-yl]ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

606.28876 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.29604 244.0
[M+Na]+ 629.27798 253.6
[M-H]- 605.28148 250.8
[M+NH4]+ 624.32258 258.2
[M+K]+ 645.25192 247.8
[M+H-H2O]+ 589.28602 252.5
[M+HCOO]- 651.28696 263.1
[M+CH3COO]- 665.30261 259.9
[M+Na-2H]- 627.26343 231.6
[M]+ 606.28821 246.9
[M]- 606.28931 246.9
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.