CID 101286207

5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-8-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one

Structural Information

Molecular Formula
C23H24O9
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C2=C(C=C(C3=C2OC=C(C3=O)C4=CC=C(C=C4)OC)O)OC)O)O)O
InChI
InChI=1S/C23H24O9/c1-10-18(25)20(27)21(28)23(32-10)17-15(30-3)8-14(24)16-19(26)13(9-31-22(16)17)11-4-6-12(29-2)7-5-11/h4-10,18,20-21,23-25,27-28H,1-3H3/t10-,18-,20+,21+,23-/m0/s1
InChIKey
DXJQWYBXEGXWSW-GRMHDWRHSA-N
Compound name
5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.14203 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.14931 204.9
[M+Na]+ 467.13125 212.9
[M-H]- 443.13475 213.0
[M+NH4]+ 462.17585 210.1
[M+K]+ 483.10519 212.6
[M+H-H2O]+ 427.13929 195.3
[M+HCOO]- 489.14023 216.1
[M+CH3COO]- 503.15588 228.9
[M+Na-2H]- 465.11670 204.1
[M]+ 444.14148 209.5
[M]- 444.14258 209.5
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.