CID 5495928

Garcinone b

Structural Information

Molecular Formula
C23H22O6
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C(=C3)O)OC(C=C4)(C)C)O)C
InChI
InChI=1S/C23H22O6/c1-11(2)5-6-12-14(24)9-17-19(20(12)26)21(27)18-13-7-8-23(3,4)29-22(13)15(25)10-16(18)28-17/h5,7-10,24-26H,6H2,1-4H3
InChIKey
HVXHJNVYRXRHNX-UHFFFAOYSA-N
Compound name
5,9,11-trihydroxy-3,3-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-a]xanthen-12-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

137
Patents

394.14163 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14891 192.9
[M+Na]+ 417.13085 208.9
[M+NH4]+ 412.17545 200.7
[M+K]+ 433.10479 200.7
[M-H]- 393.13435 197.5
[M+Na-2H]- 415.11630 195.9
[M]+ 394.14108 196.9
[M]- 394.14218 196.9
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