CID 5281646

Macluraxanthone

Structural Information

Molecular Formula
C23H22O6
SMILES
CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC4=C(C3=O)C=CC(=C4O)O)O)C
InChI
InChI=1S/C23H22O6/c1-6-22(2,3)15-19-12(9-10-23(4,5)29-19)17(26)14-16(25)11-7-8-13(24)18(27)20(11)28-21(14)15/h6-10,24,26-27H,1H2,2-5H3
InChIKey
XRVLGJCHUWXTDX-UHFFFAOYSA-N
Compound name
5,9,10-trihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

68
Patents

394.14163 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14891 194.3
[M+Na]+ 417.13085 206.5
[M-H]- 393.13435 199.7
[M+NH4]+ 412.17545 207.0
[M+K]+ 433.10479 203.9
[M+H-H2O]+ 377.13889 187.0
[M+HCOO]- 439.13983 206.0
[M+CH3COO]- 453.15548 222.2
[M+Na-2H]- 415.11630 201.3
[M]+ 394.14108 201.4
[M]- 394.14218 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.