CID 5353738

Macluraxanthone c

Structural Information

Molecular Formula
C23H24O6
SMILES
CC(=CCC1=C(C(=C(C2=C1OC3=C(C2=O)C=CC(=C3O)O)O)C(C)(C)C=C)O)C
InChI
InChI=1S/C23H24O6/c1-6-23(4,5)16-18(26)13(8-7-11(2)3)21-15(20(16)28)17(25)12-9-10-14(24)19(27)22(12)29-21/h6-7,9-10,24,26-28H,1,8H2,2-5H3
InChIKey
INSDJDFCZJWKAI-UHFFFAOYSA-N
Compound name
1,3,5,6-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

396.1573 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 194.7
[M+Na]+ 419.14652 205.0
[M-H]- 395.15002 197.0
[M+NH4]+ 414.19112 205.1
[M+K]+ 435.12046 200.6
[M+H-H2O]+ 379.15456 188.3
[M+HCOO]- 441.15550 207.0
[M+CH3COO]- 455.17115 221.2
[M+Na-2H]- 417.13197 196.3
[M]+ 396.15675 200.3
[M]- 396.15785 200.3
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