CID 15954241

(2r,3s,4s,5s)-2-[(1s)-1,2-dihydroxyethyl]-5-[(1r)-1-[(3r,4s,5s)-3,4-dimethoxy-5-octoxy-tetrahydrofuran-2-yl]-2-methoxy-ethoxy]tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C23H44O11
SMILES
CCCCCCCCO[C@@H]1[C@H]([C@@H](C(O1)[C@@H](COC)O[C@@H]2[C@H]([C@@H]([C@H](O2)[C@H](CO)O)O)O)OC)OC
InChI
InChI=1S/C23H44O11/c1-5-6-7-8-9-10-11-31-23-21(30-4)20(29-3)19(34-23)15(13-28-2)32-22-17(27)16(26)18(33-22)14(25)12-24/h14-27H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19?,20+,21-,22-,23-/m0/s1
InChIKey
YLPDPSMIUUUGJS-OWCJVGQNSA-N
Compound name
(2R,3S,4S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-[(1R)-1-[(3R,4S,5S)-3,4-dimethoxy-5-octoxyoxolan-2-yl]-2-methoxyethoxy]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

496.28836 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.29564 216.6
[M+Na]+ 519.27758 215.8
[M-H]- 495.28108 217.6
[M+NH4]+ 514.32218 221.7
[M+K]+ 535.25152 217.9
[M+H-H2O]+ 479.28562 211.2
[M+HCOO]- 541.28656 225.5
[M+CH3COO]- 555.30221 234.3
[M+Na-2H]- 517.26303 208.4
[M]+ 496.28781 225.6
[M]- 496.28891 225.6
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.