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

literature stripe

Patent stripe

patents stripe