CID 73803060

(2s,4r,6s)-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]tetrahydro-6-(4-hydroxy-3,5-dimethoxyphenyl)-2h-pyran-4-ol

Structural Information

Molecular Formula
C22H28O7
SMILES
COC1=CC(=CC(=C1O)OC)C2CC(CC(O2)CCC3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C22H28O7/c1-26-19-8-13(5-7-17(19)24)4-6-16-11-15(23)12-18(29-16)14-9-20(27-2)22(25)21(10-14)28-3/h5,7-10,15-16,18,23-25H,4,6,11-12H2,1-3H3
InChIKey
FSJJNEYYEKNFEZ-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-3,5-dimethoxyphenyl)-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

404.1835 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19078 196.5
[M+Na]+ 427.17272 201.9
[M-H]- 403.17622 203.0
[M+NH4]+ 422.21732 204.1
[M+K]+ 443.14666 200.0
[M+H-H2O]+ 387.18076 187.2
[M+HCOO]- 449.18170 210.8
[M+CH3COO]- 463.19735 220.0
[M+Na-2H]- 425.15817 194.8
[M]+ 404.18295 199.5
[M]- 404.18405 199.5
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.