CID 72963947

3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carbaldehyde

Structural Information

Molecular Formula
C35H26O8
SMILES
C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C4C(OC5=C4C=C(C=C5)C=O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)O
InChI
InChI=1S/C35H26O8/c36-17-18-1-10-29-27(11-18)32(35(42-29)20-4-8-23(38)9-5-20)28-15-26(41)16-30-33(28)31(21-12-24(39)14-25(40)13-21)34(43-30)19-2-6-22(37)7-3-19/h1-17,31-32,34-35,37-41H
InChIKey
DHTHKPNODOWMKF-UHFFFAOYSA-N
Compound name
3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.1628 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.17008 233.6
[M+Na]+ 597.15202 240.1
[M-H]- 573.15552 248.0
[M+NH4]+ 592.19662 236.2
[M+K]+ 613.12596 237.1
[M+H-H2O]+ 557.16006 225.3
[M+HCOO]- 619.16100 243.7
[M+CH3COO]- 633.17665 240.0
[M+Na-2H]- 595.13747 227.9
[M]+ 574.16225 235.9
[M]- 574.16335 235.9
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.