CID 102317313

3,5,7-trimethoxy-2-(4-methoxyphenyl)-6-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

Structural Information

Molecular Formula
C25H28O11
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C3C(=C2OC)C(=O)C(=C(O3)C4=CC=C(C=C4)OC)OC)OC)O)O)O
InChI
InChI=1S/C25H28O11/c1-11-17(26)19(28)20(29)25(34-11)36-22-15(31-3)10-14-16(23(22)32-4)18(27)24(33-5)21(35-14)12-6-8-13(30-2)9-7-12/h6-11,17,19-20,25-26,28-29H,1-5H3/t11-,17-,19+,20+,25-/m0/s1
InChIKey
PJKTVOKVIPHPQU-BGYNXSMXSA-N
Compound name
3,5,7-trimethoxy-2-(4-methoxyphenyl)-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.16315 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.17043 217.7
[M+Na]+ 527.15237 225.0
[M-H]- 503.15587 226.8
[M+NH4]+ 522.19697 220.8
[M+K]+ 543.12631 227.3
[M+H-H2O]+ 487.16041 206.9
[M+HCOO]- 549.16135 229.7
[M+CH3COO]- 563.17700 242.8
[M+Na-2H]- 525.13782 216.3
[M]+ 504.16260 227.7
[M]- 504.16370 227.7
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.