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]+ 571.15988 238.0
[M+Na]+ 593.14182 243.9
[M-H]- 569.14532 248.9
[M+NH4]+ 588.18642 237.5
[M+K]+ 609.11576 243.8
[M+H-H2O]+ 553.14986 224.8
[M+HCOO]- 615.15080 244.7
[M+CH3COO]- 629.16645 243.1
[M+Na-2H]- 591.12727 235.3
[M]+ 570.15205 241.0
[M]- 570.15315 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.