CID 129904073

[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-tetrahydropyran-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate

Structural Information

Molecular Formula
C24H24O10
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)OC(=O)/C=C/C3=CC=C(C=C3)O)O)O)O)O
InChI
InChI=1S/C24H24O10/c25-16-7-1-14(2-8-16)5-11-19(27)32-13-18-21(29)22(30)23(31)24(33-18)34-20(28)12-6-15-3-9-17(26)10-4-15/h1-12,18,21-26,29-31H,13H2/b11-5+,12-6+/t18-,21-,22-,23-,24+/m0/s1
InChIKey
IAVJHQVGTRSIOM-CJJGOPASSA-N
Compound name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.13693 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.14421 207.6
[M+Na]+ 495.12615 210.0
[M-H]- 471.12965 210.8
[M+NH4]+ 490.17075 209.9
[M+K]+ 511.10009 207.9
[M+H-H2O]+ 455.13419 198.2
[M+HCOO]- 517.13513 217.4
[M+CH3COO]- 531.15078 225.3
[M+Na-2H]- 493.11160 203.3
[M]+ 472.13638 207.3
[M]- 472.13748 207.3
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.