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]+ 389.159476 186.9
[M+Na]+ 411.141418 194.6
[M-H]- 387.144924 197.3
[M+NH4]+ 406.186023 201.2
[M+K]+ 427.115358 194.1
[M+H-H2O]+ 371.149460 181.7
[M+HCOO]- 433.150401 203.6
[M+CH3COO]- 447.166051 215.1
[M+Na-2H]- 409.126866 187.2
[M]+ 388.15165142 192.6
[M]- 388.15274858 192.6
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.