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]+ 433.185676 202.0
[M+Na]+ 455.167618 206.6
[M-H]- 431.171124 208.4
[M+NH4]+ 450.212223 208.1
[M+K]+ 471.141558 205.5
[M+H-H2O]+ 415.175660 192.5
[M+HCOO]- 477.176601 215.2
[M+CH3COO]- 491.192251 225.1
[M+Na-2H]- 453.153066 198.9
[M]+ 432.17785142 205.4
[M]- 432.17894858 205.4
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.