CID 5464078

Gamma-mangostin

Structural Information

Molecular Formula
C23H24O6
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3
InChIKey
VEZXFTKZUMARDU-UHFFFAOYSA-N
Compound name
1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

473
References

464
Patents

396.1573 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 194.6
[M+Na]+ 419.14652 204.4
[M-H]- 395.15002 196.7
[M+NH4]+ 414.19112 204.9
[M+K]+ 435.12046 199.8
[M+H-H2O]+ 379.15456 187.7
[M+HCOO]- 441.15550 207.6
[M+CH3COO]- 455.17115 221.1
[M+Na-2H]- 417.13197 193.8
[M]+ 396.15675 200.0
[M]- 396.15785 200.0
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