CID 468358

Chembl7453

Structural Information

Molecular Formula
C22H26O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(CC(O4)(C)C)O
InChI
InChI=1S/C22H26O5/c1-6-7-12-10-15(24)25-20-16(12)18-13(8-9-21(2,3)26-18)19-17(20)14(23)11-22(4,5)27-19/h8-10,14,23H,6-7,11H2,1-5H3
InChIKey
DXLOSPHNYYRNBG-UHFFFAOYSA-N
Compound name
18-hydroxy-10,10,16,16-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.178 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 187.4
[M+Na]+ 393.16722 198.4
[M-H]- 369.17072 195.0
[M+NH4]+ 388.21182 203.0
[M+K]+ 409.14116 197.7
[M+H-H2O]+ 353.17526 179.4
[M+HCOO]- 415.17620 198.7
[M+CH3COO]- 429.19185 198.5
[M+Na-2H]- 391.15267 193.9
[M]+ 370.17745 193.7
[M]- 370.17855 193.7
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.