CID 42607675

2',4'-dihydroxy-6'-methoxy-3'-(2-hydroxybenzyl)-5'-(3 x 2-hydroxybenzyl)dihydrochalcone

Structural Information

Molecular Formula
C44H40O8
SMILES
COC1=C(C(=C(C(=C1C(=O)CCC2=CC=CC=C2)O)CC3=CC=CC=C3O)O)CC4=C(C=CC(=C4)CC5=C(C=CC(=C5)CC6=CC=CC=C6O)O)O
InChI
InChI=1S/C44H40O8/c1-52-44-35(26-33-24-29(17-19-39(33)48)23-32-22-28(16-18-38(32)47)21-30-11-5-7-13-36(30)45)42(50)34(25-31-12-6-8-14-37(31)46)43(51)41(44)40(49)20-15-27-9-3-2-4-10-27/h2-14,16-19,22,24,45-48,50-51H,15,20-21,23,25-26H2,1H3
InChIKey
VVIWIPRBKCSSRF-UHFFFAOYSA-N
Compound name
1-[2,4-dihydroxy-5-[[2-hydroxy-5-[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

696.27234 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 697.27962 271.2
[M+Na]+ 719.26156 272.3
[M-H]- 695.26506 281.2
[M+NH4]+ 714.30616 263.9
[M+K]+ 735.23550 267.3
[M+H-H2O]+ 679.26960 255.4
[M+HCOO]- 741.27054 279.5
[M+CH3COO]- 755.28619 272.4
[M+Na-2H]- 717.24701 262.7
[M]+ 696.27179 271.7
[M]- 696.27289 271.7
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.