CID 5495930

Chembl5290374

Structural Information

Molecular Formula
C24H26O7
SMILES
CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C4)C(C)(C)O)O)O)OC)C
InChI
InChI=1S/C24H26O7/c1-11(2)6-7-12-19-16(9-14(25)23(12)29-5)30-17-10-15-13(21(26)20(17)22(19)27)8-18(31-15)24(3,4)28/h6,9-10,18,25-26,28H,7-8H2,1-5H3
InChIKey
PDCFTPUXIGMZDM-UHFFFAOYSA-N
Compound name
4,8-dihydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

426.16785 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17513 202.5
[M+Na]+ 449.15707 212.3
[M-H]- 425.16057 207.6
[M+NH4]+ 444.20167 213.6
[M+K]+ 465.13101 210.3
[M+H-H2O]+ 409.16511 197.1
[M+HCOO]- 471.16605 213.9
[M+CH3COO]- 485.18170 227.8
[M+Na-2H]- 447.14252 204.5
[M]+ 426.16730 211.1
[M]- 426.16840 211.1
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.