CID 5319262

1,6-dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1e-butenyl)-xanthone

Structural Information

Molecular Formula
C25H28O7
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3/C=C/C(C)(C)O)OC)O)OC)C
InChI
InChI=1S/C25H28O7/c1-13(2)7-8-14-17(30-5)12-19-21(22(14)27)23(28)20-15(9-10-25(3,4)29)24(31-6)16(26)11-18(20)32-19/h7,9-12,26-27,29H,8H2,1-6H3/b10-9+
InChIKey
QXRLQTRFEMAPRP-MDZDMXLPSA-N
Compound name
1,6-dihydroxy-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-3,7-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1835 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19078 206.5
[M+Na]+ 463.17272 216.0
[M-H]- 439.17622 209.7
[M+NH4]+ 458.21732 215.7
[M+K]+ 479.14666 212.9
[M+H-H2O]+ 423.18076 199.1
[M+HCOO]- 485.18170 219.8
[M+CH3COO]- 499.19735 230.7
[M+Na-2H]- 461.15817 207.8
[M]+ 440.18295 215.8
[M]- 440.18405 215.8
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

No patent data available for this compound.