CID 11081450

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]oxan-2-yl]methyl acetate

Structural Information

Molecular Formula
C24H24O11
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2C3=CC(=O)C4=C(C=C(C=C4O3)OC)O)O)O)O
InChI
InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)34-16-6-4-3-5-13(16)17-9-15(27)20-14(26)7-12(31-2)8-18(20)33-17/h3-9,19,21-24,26,28-30H,10H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
InChIKey
NYESETAMVRXBOD-PFKOEMKTSA-N
Compound name
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.13187 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.13915 210.8
[M+Na]+ 511.12109 216.6
[M-H]- 487.12459 218.2
[M+NH4]+ 506.16569 213.3
[M+K]+ 527.09503 218.0
[M+H-H2O]+ 471.12913 200.5
[M+HCOO]- 533.13007 221.1
[M+CH3COO]- 547.14572 235.3
[M+Na-2H]- 509.10654 209.9
[M]+ 488.13132 216.7
[M]- 488.13242 216.7
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.