CID 14704592

Euchrenone b7

Structural Information

Molecular Formula
C25H26O6
SMILES
CC1(C=CC2=C3C(=C(C(=C2O1)CCC(C)(C)O)O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C
InChI
InChI=1S/C25H26O6/c1-24(2,29)11-9-16-20(27)19-21(28)18(14-5-7-15(26)8-6-14)13-30-23(19)17-10-12-25(3,4)31-22(16)17/h5-8,10,12-13,26-27,29H,9,11H2,1-4H3
InChIKey
BPXHIAACGCIWGL-UHFFFAOYSA-N
Compound name
5-hydroxy-6-(3-hydroxy-3-methylbutyl)-3-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.17294 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18022 203.7
[M+Na]+ 445.16216 213.1
[M-H]- 421.16566 210.5
[M+NH4]+ 440.20676 213.7
[M+K]+ 461.13610 210.8
[M+H-H2O]+ 405.17020 195.3
[M+HCOO]- 467.17114 215.0
[M+CH3COO]- 481.18679 225.7
[M+Na-2H]- 443.14761 208.7
[M]+ 422.17239 209.0
[M]- 422.17349 209.0
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.