CID 362046

Fruticulin a

Structural Information

Molecular Formula
C20H20O4
SMILES
CC1=CC(=CC2=C1CC=C3C(=C2)C(=O)C(=O)C(=C3O)C(C)C)OC
InChI
InChI=1S/C20H20O4/c1-10(2)17-18(21)15-6-5-14-11(3)7-13(24-4)8-12(14)9-16(15)19(22)20(17)23/h6-10,21H,5H2,1-4H3
InChIKey
NZMUXZBQDVLKSD-UHFFFAOYSA-N
Compound name
7-hydroxy-14-methoxy-12-methyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),2,6,8,12,14-hexaene-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

324.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 170.8
[M+Na]+ 347.12539 179.5
[M-H]- 323.12889 177.2
[M+NH4]+ 342.16999 186.7
[M+K]+ 363.09933 180.6
[M+H-H2O]+ 307.13343 166.6
[M+HCOO]- 369.13437 188.0
[M+CH3COO]- 383.15002 213.4
[M+Na-2H]- 345.11084 172.3
[M]+ 324.13562 172.2
[M]- 324.13672 172.2
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