CID 5495926

Garcinone d

Structural Information

Molecular Formula
C24H28O7
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CCC(C)(C)O)O)C
InChI
InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
InChIKey
TYALNCRUIKOKGP-UHFFFAOYSA-N
Compound name
1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

197
Patents

428.1835 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.19078 203.7
[M+Na]+ 451.17272 212.8
[M-H]- 427.17622 205.6
[M+NH4]+ 446.21732 212.6
[M+K]+ 467.14666 209.7
[M+H-H2O]+ 411.18076 196.6
[M+HCOO]- 473.18170 215.5
[M+CH3COO]- 487.19735 227.1
[M+Na-2H]- 449.15817 205.0
[M]+ 428.18295 211.7
[M]- 428.18405 211.7
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