CID 5495925

Beta-mangostin

Structural Information

Molecular Formula
C25H28O6
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3CC=C(C)C)OC)O)OC)C
InChI
InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
InChIKey
YRKKJHJIWCRNCW-UHFFFAOYSA-N
Compound name
1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

226
Patents

424.1886 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19588 202.9
[M+Na]+ 447.17782 217.1
[M+NH4]+ 442.22242 207.7
[M+K]+ 463.15176 210.9
[M-H]- 423.18132 205.0
[M+Na-2H]- 445.16327 204.0
[M]+ 424.18805 205.5
[M]- 424.18915 205.5
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