CID 131751405

8-acetoxy-4'-methoxypinoresinol

Structural Information

Molecular Formula
C23H26O8
SMILES
CC(=O)OC12COC(C1COC2C3=CC(=C(C=C3)O)OC)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C23H26O8/c1-13(24)31-23-12-30-21(14-6-8-18(26-2)20(9-14)28-4)16(23)11-29-22(23)15-5-7-17(25)19(10-15)27-3/h5-10,16,21-22,25H,11-12H2,1-4H3
InChIKey
ZVILPMKYRJCFAE-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-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

430.16278 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17006 197.3
[M+Na]+ 453.15200 204.2
[M-H]- 429.15550 208.7
[M+NH4]+ 448.19660 210.3
[M+K]+ 469.12594 204.9
[M+H-H2O]+ 413.16004 191.8
[M+HCOO]- 475.16098 214.1
[M+CH3COO]- 489.17663 225.0
[M+Na-2H]- 451.13745 196.2
[M]+ 430.16223 205.4
[M]- 430.16333 205.4
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

patents stripe