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 186.9
[M+Na]+ 411.14142 194.6
[M-H]- 387.14492 197.3
[M+NH4]+ 406.18602 201.2
[M+K]+ 427.11536 194.1
[M+H-H2O]+ 371.14946 181.7
[M+HCOO]- 433.15040 203.6
[M+CH3COO]- 447.16605 215.1
[M+Na-2H]- 409.12687 187.2
[M]+ 388.15165 192.6
[M]- 388.15275 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.