CID 5495931

5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-4h-pyrano[3,2-b]xanthene-3,6-dione

Structural Information

Molecular Formula
C24H24O7
SMILES
CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C(=O)C4)(C)C)O)O)OC)C
InChI
InChI=1S/C24H24O7/c1-11(2)6-7-12-19-16(9-14(25)23(12)29-5)30-17-10-15-13(21(27)20(17)22(19)28)8-18(26)24(3,4)31-15/h6,9-10,25,27H,7-8H2,1-5H3
InChIKey
DUCDWKFXJKQSPZ-UHFFFAOYSA-N
Compound name
5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-4H-pyrano[3,2-b]xanthene-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.1522 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.15948 199.4
[M+Na]+ 447.14142 210.9
[M-H]- 423.14492 205.7
[M+NH4]+ 442.18602 211.4
[M+K]+ 463.11536 209.1
[M+H-H2O]+ 407.14946 191.3
[M+HCOO]- 469.15040 211.7
[M+CH3COO]- 483.16605 230.6
[M+Na-2H]- 445.12687 202.7
[M]+ 424.15165 208.1
[M]- 424.15275 208.1
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.