CID 163191029

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

Structural Information

Molecular Formula
C24H26O9
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2C)OC=C(C3=O)C4=CC=C(C=C4)OC)OC)O)O)O
InChI
InChI=1S/C24H26O9/c1-11-16(33-24-22(28)21(27)19(25)12(2)32-24)9-17(30-4)18-20(26)15(10-31-23(11)18)13-5-7-14(29-3)8-6-13/h5-10,12,19,21-22,24-25,27-28H,1-4H3/t12-,19-,21+,22+,24-/m0/s1
InChIKey
FBUPXHQDNXCVLC-AISPUCENSA-N
Compound name
5-methoxy-3-(4-methoxyphenyl)-8-methyl-7-[(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

458.15768 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.16496 208.9
[M+Na]+ 481.14690 216.9
[M-H]- 457.15040 218.1
[M+NH4]+ 476.19150 214.1
[M+K]+ 497.12084 217.1
[M+H-H2O]+ 441.15494 198.8
[M+HCOO]- 503.15588 221.2
[M+CH3COO]- 517.17153 233.5
[M+Na-2H]- 479.13235 208.0
[M]+ 458.15713 215.4
[M]- 458.15823 215.4
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.