CID 131753094

(7'x,8'x)-4,7'-epoxy-3,8'-bilign-7-ene-3,5'-dimethoxy-4',9,9'-triol

Structural Information

Molecular Formula
C20H22O6
SMILES
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)/C=C\CO
InChI
InChI=1S/C20H22O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-6,8-10,15,19,21-23H,7,11H2,1-2H3/b4-3-
InChIKey
KUSXBOZNRPQEON-ARJAWSKDSA-N
Compound name
4-[3-(hydroxymethyl)-5-[(Z)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

45
Patents

358.14163 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14891 184.5
[M+Na]+ 381.13085 196.3
[M+NH4]+ 376.17545 190.1
[M+K]+ 397.10479 192.7
[M-H]- 357.13435 187.3
[M+Na-2H]- 379.11630 186.7
[M]+ 358.14108 186.8
[M]- 358.14218 186.8
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.