CID 102463148

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

Structural Information

Molecular Formula
C24H24O10
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)OC)O)O)O
InChI
InChI=1S/C24H24O10/c1-12(25)31-11-19-21(27)22(28)23(29)24(34-19)33-15-7-8-16-18(9-15)32-10-17(20(16)26)13-3-5-14(30-2)6-4-13/h3-10,19,21-24,27-29H,11H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
InChIKey
HZJBDSMAAFNHHL-PFKOEMKTSA-N
Compound name
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.13693 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.14421 208.1
[M+Na]+ 495.12615 213.9
[M-H]- 471.12965 216.5
[M+NH4]+ 490.17075 211.8
[M+K]+ 511.10009 214.9
[M+H-H2O]+ 455.13419 197.7
[M+HCOO]- 517.13513 219.8
[M+CH3COO]- 531.15078 232.9
[M+Na-2H]- 493.11160 207.8
[M]+ 472.13638 213.7
[M]- 472.13748 213.7
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.