CID 6476077

(2r,3s,4r)-2-(hydroxymethyl)-5-oxotetrahydrofuran-3,4-diyl (2e,2'e)bis[3-(3,4-dihydroxyphenyl)acrylate]

Structural Information

Molecular Formula
C23H20O11
SMILES
C1=CC(=C(C=C1/C=C/C(=O)O[C@H]2[C@H](OC(=O)[C@@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)O)O
InChI
InChI=1S/C23H20O11/c24-11-18-21(33-19(29)7-3-12-1-5-14(25)16(27)9-12)22(23(31)32-18)34-20(30)8-4-13-2-6-15(26)17(28)10-13/h1-10,18,21-22,24-28H,11H2/b7-3+,8-4+/t18-,21+,22-/m1/s1
InChIKey
RAIXPAIUOUAJBH-SPMYNNDQSA-N
Compound name
[(2R,3S,4R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-(hydroxymethyl)-5-oxooxolan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

472.10056 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.107836 203.4
[M+Na]+ 495.089778 207.7
[M-H]- 471.093284 207.8
[M+NH4]+ 490.134383 207.8
[M+K]+ 511.063718 205.9
[M+H-H2O]+ 455.097820 195.7
[M+HCOO]- 517.098761 216.1
[M+CH3COO]- 531.114411 224.9
[M+Na-2H]- 493.075226 198.2
[M]+ 472.10001142 206.1
[M]- 472.10110858 206.1
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.