CID 14078639

6,8-di-o-methylaverufin

Structural Information

Molecular Formula
C22H20O7
SMILES
CC12CCCC(O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5OC)OC
InChI
InChI=1S/C22H20O7/c1-22-6-4-5-13(28-22)18-15(29-22)9-12-17(21(18)25)20(24)16-11(19(12)23)7-10(26-2)8-14(16)27-3/h7-9,13,25H,4-6H2,1-3H3
InChIKey
UOWSTUZKQCORDT-UHFFFAOYSA-N
Compound name
3-hydroxy-7,9-dimethoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1209 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.128176 187.7
[M+Na]+ 419.110118 196.9
[M-H]- 395.113624 193.3
[M+NH4]+ 414.154723 202.1
[M+K]+ 435.084058 195.8
[M+H-H2O]+ 379.118160 178.5
[M+HCOO]- 441.119101 196.4
[M+CH3COO]- 455.134751 197.3
[M+Na-2H]- 417.095566 194.1
[M]+ 396.12035142 192.9
[M]- 396.12144858 192.9
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

patents stripe