CID 163010613

(2e)-6-hydroxy-5-methyl-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one

Structural Information

Molecular Formula
C25H28O11
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C(=CC3=C2C(=O)/C(=C\C4=CC(=C(C(=C4)OC)OC)OC)/O3)O)C)O)O)O
InChI
InChI=1S/C25H28O11/c1-10-13(26)9-14-18(23(10)36-25-22(30)21(29)19(27)11(2)34-25)20(28)15(35-14)6-12-7-16(31-3)24(33-5)17(8-12)32-4/h6-9,11,19,21-22,25-27,29-30H,1-5H3/b15-6+/t11-,19-,21+,22+,25-/m0/s1
InChIKey
JSFYFXORWHHVRW-LUAQVOIOSA-N
Compound name
(2E)-6-hydroxy-5-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.16315 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.17043 216.2
[M+Na]+ 527.15237 223.1
[M-H]- 503.15587 224.2
[M+NH4]+ 522.19697 220.8
[M+K]+ 543.12631 223.7
[M+H-H2O]+ 487.16041 208.8
[M+HCOO]- 549.16135 226.3
[M+CH3COO]- 563.17700 241.4
[M+Na-2H]- 525.13782 211.2
[M]+ 504.16260 223.9
[M]- 504.16370 223.9
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.