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]+ 473.10784 203.4
[M+Na]+ 495.08978 207.7
[M-H]- 471.09328 207.8
[M+NH4]+ 490.13438 207.8
[M+K]+ 511.06372 205.9
[M+H-H2O]+ 455.09782 195.7
[M+HCOO]- 517.09876 216.1
[M+CH3COO]- 531.11441 224.9
[M+Na-2H]- 493.07523 198.2
[M]+ 472.10001 206.1
[M]- 472.10111 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.