CID 101193826

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

Structural Information

Molecular Formula
C25H28O7
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3CC(C(=C)C)O)OC)O)OC)C
InChI
InChI=1S/C25H28O7/c1-12(2)7-8-14-18(30-5)11-20-22(23(14)28)24(29)21-15(9-16(26)13(3)4)25(31-6)17(27)10-19(21)32-20/h7,10-11,16,26-28H,3,8-9H2,1-2,4-6H3
InChIKey
OHGAQNFIUCKPAY-UHFFFAOYSA-N
Compound name
1,6-dihydroxy-8-(2-hydroxy-3-methylbut-3-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

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19078 205.2
[M+Na]+ 463.17272 213.7
[M-H]- 439.17622 208.1
[M+NH4]+ 458.21732 214.0
[M+K]+ 479.14666 211.0
[M+H-H2O]+ 423.18076 197.5
[M+HCOO]- 485.18170 218.0
[M+CH3COO]- 499.19735 232.8
[M+Na-2H]- 461.15817 202.9
[M]+ 440.18295 213.8
[M]- 440.18405 213.8
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.