CID 5495929

9-hydroxycalabaxanthone

Structural Information

Molecular Formula
C24H24O6
SMILES
CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)OC)C
InChI
InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
InChIKey
HQWHKELJHUFLGD-UHFFFAOYSA-N
Compound name
5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

29
Patents

408.1573 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16458 196.8
[M+Na]+ 431.14652 213.1
[M+NH4]+ 426.19112 204.8
[M+K]+ 447.12046 204.5
[M-H]- 407.15002 201.9
[M+Na-2H]- 429.13197 200.2
[M]+ 408.15675 201.0
[M]- 408.15785 201.0
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

patents stripe