CID 131751406

8-hydroxy-4'-methoxypinoresinol

Structural Information

Molecular Formula
C21H24O7
SMILES
COC1=C(C=C(C=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)O)OC)OC
InChI
InChI=1S/C21H24O7/c1-24-16-7-5-12(8-18(16)26-3)19-14-10-27-20(21(14,23)11-28-19)13-4-6-15(22)17(9-13)25-2/h4-9,14,19-20,22-23H,10-11H2,1-3H3
InChIKey
JDOYVXXEQQTICM-UHFFFAOYSA-N
Compound name
6-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

388.1522 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15948 187.5
[M+Na]+ 411.14142 198.6
[M+NH4]+ 406.18602 195.2
[M+K]+ 427.11536 196.4
[M-H]- 387.14492 193.5
[M+Na-2H]- 409.12687 191.6
[M]+ 388.15165 190.9
[M]- 388.15275 190.9
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.