CID 6478778

Mangostinone

Structural Information

Molecular Formula
C23H24O5
SMILES
CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)OC3=C(C2=O)C=CC=C3O)O)/C)C
InChI
InChI=1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19-20(21(15)26)22(27)16-8-5-9-17(24)23(16)28-19/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3/b14-10+
InChIKey
RJLWIAOXQDZMTB-GXDHUFHOSA-N
Compound name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trihydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

63
Patents

380.16238 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16966 191.3
[M+Na]+ 403.15160 205.3
[M+NH4]+ 398.19620 196.8
[M+K]+ 419.12554 198.9
[M-H]- 379.15510 193.4
[M+Na-2H]- 401.13705 193.3
[M]+ 380.16183 193.9
[M]- 380.16293 193.9
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