CID 75072286

Chebi:185485

Structural Information

Molecular Formula
C37H40O12
SMILES
COC1=CC(=CC(=C1OC)O)C2CCC3=C(O2)C(=C(C=C3C4=CC(=C(C5=C4CCC(O5)C6=CC(=C(C(=C6)OC)OC)OC)O)OC)OC)O
InChI
InChI=1S/C37H40O12/c1-41-27-16-22(20-8-10-25(48-34(20)32(27)39)18-12-24(38)36(46-6)29(13-18)43-3)23-17-28(42-2)33(40)35-21(23)9-11-26(49-35)19-14-30(44-4)37(47-7)31(15-19)45-5/h12-17,25-26,38-40H,8-11H2,1-7H3
InChIKey
BXMDPVWZQNENII-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-4,5-dimethoxyphenyl)-5-[8-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-5-yl]-7-methoxy-3,4-dihydro-2H-chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

676.25195 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.25923 266.8
[M+Na]+ 699.24117 270.5
[M-H]- 675.24467 278.3
[M+NH4]+ 694.28577 262.7
[M+K]+ 715.21511 274.4
[M+H-H2O]+ 659.24921 251.7
[M+HCOO]- 721.25015 272.6
[M+CH3COO]- 735.26580 278.5
[M+Na-2H]- 697.22662 261.4
[M]+ 676.25140 277.4
[M]- 676.25250 277.4
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.