CID 131751038

(2s,4s,6s)-2-[2-(4-hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2h-pyran-4-yl 4-acetate

Structural Information

Molecular Formula
C23H28O8
SMILES
CC(=O)OC1CC(OC(C1)C2=CC(=C(C(=C2)OC)O)O)CCC3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C23H28O8/c1-13(24)30-17-11-16(6-4-14-5-7-18(25)21(8-14)28-2)31-20(12-17)15-9-19(26)23(27)22(10-15)29-3/h5,7-10,16-17,20,25-27H,4,6,11-12H2,1-3H3
InChIKey
PCHXAHPLKORHMW-UHFFFAOYSA-N
Compound name
[2-(3,4-dihydroxy-5-methoxyphenyl)-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

432.1784 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.18568 202.9
[M+Na]+ 455.16762 214.2
[M+NH4]+ 450.21222 206.8
[M+K]+ 471.14156 210.2
[M-H]- 431.17112 206.8
[M+Na-2H]- 453.15307 205.8
[M]+ 432.17785 205.3
[M]- 432.17895 205.3
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.