CID 14630497

Kb 2

Structural Information

Molecular Formula
C25H26O8
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OC(=C(C3=O)CCC(C)(C)O)C4=CC(=C(C=C4O)O)O)O)C
InChI
InChI=1S/C25H26O8/c1-24(2,31)7-5-13-21(30)20-18(29)11-19-12(6-8-25(3,4)33-19)23(20)32-22(13)14-9-16(27)17(28)10-15(14)26/h6,8-11,26-29,31H,5,7H2,1-4H3
InChIKey
HENAAGIOPZLIKO-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

454.16278 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.17006 207.6
[M+Na]+ 477.15200 221.3
[M+NH4]+ 472.19660 213.2
[M+K]+ 493.12594 215.7
[M-H]- 453.15550 211.6
[M+Na-2H]- 475.13745 210.3
[M]+ 454.16223 211.0
[M]- 454.16333 211.0
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.