CID 13873657

6-deoxy-gamma-mangostin

Structural Information

Molecular Formula
C23H24O5
SMILES
CC(=CCC1=C(C=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)C
InChI
InChI=1S/C23H24O5/c1-12(2)5-7-14-16(24)9-10-18-20(14)23(27)21-19(28-18)11-17(25)15(22(21)26)8-6-13(3)4/h5-6,9-11,24-26H,7-8H2,1-4H3
InChIKey
XEWOBYXKXJFGNN-UHFFFAOYSA-N
Compound name
1,3,7-trihydroxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

380.16238 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16966 191.3
[M+Na]+ 403.15160 201.0
[M-H]- 379.15510 194.5
[M+NH4]+ 398.19620 202.9
[M+K]+ 419.12554 196.1
[M+H-H2O]+ 363.15964 184.3
[M+HCOO]- 425.16058 205.8
[M+CH3COO]- 439.17623 219.2
[M+Na-2H]- 401.13705 191.5
[M]+ 380.16183 196.6
[M]- 380.16293 196.6
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