CID 15958463

A-l-altrofuranoside, octyl 6-o-b-d-galactofuranosyl-, triacetate

Structural Information

Molecular Formula
C26H44O14
SMILES
CCCCCCCCO[C@H]1[C@@H]([C@H](C(O1)C(CO[C@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](CO)O)O)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C26H44O14/c1-5-6-7-8-9-10-11-34-26-24(38-16(4)30)23(37-15(3)29)22(40-26)18(36-14(2)28)13-35-25-20(33)19(32)21(39-25)17(31)12-27/h17-27,31-33H,5-13H2,1-4H3/t17-,18?,19-,20-,21+,22?,23+,24-,25-,26-/m1/s1
InChIKey
PMSPPYIROIQHBC-TZPPYBQSSA-N
Compound name
[(3S,4R,5R)-4-acetyloxy-2-[1-acetyloxy-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethyl]-5-octoxyoxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

580.27313 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.28041 229.9
[M+Na]+ 603.26235 247.8
[M-H]- 579.26585 243.9
[M+NH4]+ 598.30695 248.4
[M+K]+ 619.23629 231.5
[M+H-H2O]+ 563.27039 224.8
[M+HCOO]- 625.27133 252.8
[M+CH3COO]- 639.28698 249.4
[M+Na-2H]- 601.24780 218.9
[M]+ 580.27258 239.9
[M]- 580.27368 239.9
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.