CID 5281650

Alpha-mangostin

Structural Information

Molecular Formula
C24H26O6
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C
InChI
InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
InChIKey
GNRIZKKCNOBBMO-UHFFFAOYSA-N
Compound name
1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

527
References

1834
Patents

410.17294 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.180216 198.7
[M+Na]+ 433.162158 208.5
[M-H]- 409.165664 202.0
[M+NH4]+ 428.206763 209.2
[M+K]+ 449.136098 204.4
[M+H-H2O]+ 393.170200 191.3
[M+HCOO]- 455.171141 212.8
[M+CH3COO]- 469.186791 225.9
[M+Na-2H]- 431.147606 197.9
[M]+ 410.17239142 206.1
[M]- 410.17348858 206.1
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