CID 157009759

(+)-pinoresinolin

Structural Information

Molecular Formula
C20H22O7
SMILES
COC1=C(C=CC(=C1)C2C3CO[C@@H]([C@H]3CO2)OC4=CC(=C(C=C4)O)OC)O
InChI
InChI=1S/C20H22O7/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)27-12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13?,14-,19?,20+/m0/s1
InChIKey
IABRXERCCIPDNL-IAEFTCJHSA-N
Compound name
4-[(6R,6aR)-6-(4-hydroxy-3-methoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.13657 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14385 184.6
[M+Na]+ 397.12579 195.8
[M+NH4]+ 392.17039 191.0
[M+K]+ 413.09973 195.5
[M-H]- 373.12929 190.7
[M+Na-2H]- 395.11124 187.2
[M]+ 374.13602 187.8
[M]- 374.13712 187.8
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.