CID 71712662

Chembl2375491

Structural Information

Molecular Formula
C32H26O10
SMILES
COC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)OC)O)[C@H]4[C@@H](OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O
InChI
InChI=1S/C32H26O10/c1-39-19-9-5-16(6-10-19)32-28(30(38)26-22(36)13-20(40-2)14-24(26)42-32)27-29(37)25-21(35)11-18(34)12-23(25)41-31(27)15-3-7-17(33)8-4-15/h3-14,27-28,31-36H,1-2H3/t27-,28-,31+,32+/m1/s1
InChIKey
BFPJOJFVZXWMSM-CKROWEISSA-N
Compound name
(2R,3S)-5,7-dihydroxy-3-[(2R,3S)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

570.1526 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.159876 238.0
[M+Na]+ 593.141818 243.9
[M-H]- 569.145324 248.9
[M+NH4]+ 588.186423 237.5
[M+K]+ 609.115758 243.8
[M+H-H2O]+ 553.149860 224.8
[M+HCOO]- 615.150801 244.7
[M+CH3COO]- 629.166451 243.1
[M+Na-2H]- 591.127266 235.3
[M]+ 570.15205142 241.0
[M]- 570.15314858 241.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.