CID 146037062

(+)-6-hydroxypinoresinol

Structural Information

Molecular Formula
C20H22O7
SMILES
COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@]([C@H]3CO2)(C4=CC(=C(C=C4)O)OC)O)O
InChI
InChI=1S/C20H22O7/c1-24-17-7-11(3-5-15(17)21)19-13-9-27-20(23,14(13)10-26-19)12-4-6-16(22)18(8-12)25-2/h3-8,13-14,19,21-23H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1
InChIKey
JGWZMWCBIAYEIJ-AFHBHXEDSA-N
Compound name
(3S,3aR,6S,6aR)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.13657 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14385 183.6
[M+Na]+ 397.12579 194.3
[M+NH4]+ 392.17039 191.0
[M+K]+ 413.09973 192.6
[M-H]- 373.12929 189.1
[M+Na-2H]- 395.11124 187.2
[M]+ 374.13602 186.6
[M]- 374.13712 186.6
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.