CID 70689919

Garcinone a

Structural Information

Molecular Formula
C23H24O5
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C=C(C=C3)O)CC=C(C)C)O)C
InChI
InChI=1S/C23H24O5/c1-12(2)5-8-16-20(25)17(9-6-13(3)4)23-19(22(16)27)21(26)15-10-7-14(24)11-18(15)28-23/h5-7,10-11,24-25,27H,8-9H2,1-4H3
InChIKey
HHHZYUKPVCUMDR-UHFFFAOYSA-N
Compound name
1,3,6-trihydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

45
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