CID 73117

Pinoresinol dimethyl ether

Structural Information

Molecular Formula
C22H26O6
SMILES
COC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)OC)OC)OC
InChI
InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1
InChIKey
PEUUVVGQIVMSAW-RZTYQLBFSA-N
Compound name
(3S,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

172
Patents

386.17294 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18022 190.1
[M+Na]+ 409.16216 197.4
[M-H]- 385.16566 202.6
[M+NH4]+ 404.20676 203.9
[M+K]+ 425.13610 197.3
[M+H-H2O]+ 369.17020 183.9
[M+HCOO]- 431.17114 209.3
[M+CH3COO]- 445.18679 220.4
[M+Na-2H]- 407.14761 188.7
[M]+ 386.17239 197.6
[M]- 386.17349 197.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.