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

literature stripe

Patent stripe

patents stripe