CID 75072287

5',5''',8,8''-tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan

Structural Information

Molecular Formula
C36H38O12
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)O)O)OC)OC)O
InChI
InChI=1S/C36H38O12/c1-41-27-15-21(19-7-9-25(47-33(19)31(27)39)17-11-23(37)35(45-5)29(13-17)43-3)22-16-28(42-2)32(40)34-20(22)8-10-26(48-34)18-12-24(38)36(46-6)30(14-18)44-4/h11-16,25-26,37-40H,7-10H2,1-6H3
InChIKey
GBQSWSKEZIAPTN-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-4,5-dimethoxyphenyl)-5-[8-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-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

662.2363 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.24358 263.7
[M+Na]+ 685.22552 278.0
[M+NH4]+ 680.27012 266.3
[M+K]+ 701.19946 272.8
[M-H]- 661.22902 272.3
[M+Na-2H]- 683.21097 264.6
[M]+ 662.23575 268.2
[M]- 662.23685 268.2
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.