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
3
Annotation Hits

3
References

112
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 193.9
[M+Na]+ 417.13085 205.6
[M-H]- 393.13435 199.2
[M+NH4]+ 412.17545 206.5
[M+K]+ 433.10479 202.8
[M+H-H2O]+ 377.13889 186.1
[M+HCOO]- 439.13983 206.3
[M+CH3COO]- 453.15548 222.0
[M+Na-2H]- 415.11630 198.5
[M]+ 394.14108 200.8
[M]- 394.14218 200.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.