CID 467535

N-octyl-4-o(beta-d-galactofuranosyl)-2,3-o-isopropylidene-alpha-l-rhamnopyranoside

Structural Information

Molecular Formula
C23H42O10
SMILES
CCCCCCCCOC1C2C(C(C(O1)C)O[C@H]3[C@@H]([C@H]([C@@H](O3)[C@@H](CO)O)O)O)OC(O2)(C)C
InChI
InChI=1S/C23H42O10/c1-5-6-7-8-9-10-11-28-22-20-19(32-23(3,4)33-20)17(13(2)29-22)30-21-16(27)15(26)18(31-21)14(25)12-24/h13-22,24-27H,5-12H2,1-4H3/t13?,14-,15-,16-,17?,18+,19?,20?,21-,22?/m1/s1
InChIKey
ZFHKTCKAGRVREG-HXBMPISASA-N
Compound name
(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[(2,2,6-trimethyl-4-octoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl)oxy]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

478.2778 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.28508 215.0
[M+Na]+ 501.26702 216.5
[M-H]- 477.27052 218.3
[M+NH4]+ 496.31162 221.6
[M+K]+ 517.24096 218.6
[M+H-H2O]+ 461.27506 212.5
[M+HCOO]- 523.27600 219.4
[M+CH3COO]- 537.29165 232.5
[M+Na-2H]- 499.25247 210.5
[M]+ 478.27725 221.6
[M]- 478.27835 221.6
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.