CID 131753111

4-(1,1-dimethyl-2-propen-1-yl)-1,3,5,6-tetrahydroxy-7-(3-methyl-2-buten-1-yl)-9h-xanthen-9-one

Structural Information

Molecular Formula
C23H24O6
SMILES
CC(=CCC1=CC2=C(C(=C1O)O)OC3=C(C2=O)C(=CC(=C3C(C)(C)C=C)O)O)C
InChI
InChI=1S/C23H24O6/c1-6-23(4,5)17-15(25)10-14(24)16-19(27)13-9-12(8-7-11(2)3)18(26)20(28)21(13)29-22(16)17/h6-7,9-10,24-26,28H,1,8H2,2-5H3
InChIKey
BPIPRLPHPUGIIF-UHFFFAOYSA-N
Compound name
1,3,5,6-tetrahydroxy-4-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1573 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 194.8
[M+Na]+ 419.14652 208.4
[M+NH4]+ 414.19112 199.1
[M+K]+ 435.12046 203.7
[M-H]- 395.15002 195.6
[M+Na-2H]- 417.13197 195.6
[M]+ 396.15675 196.9
[M]- 396.15785 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.