CID 10736715

Artonol a

Structural Information

Molecular Formula
C21H20O5
SMILES
CC(=C)C1CC2=C(C(=O)C1)OC3=C(C2=O)C(=CC4=C3C=CC(O4)(C)C)O
InChI
InChI=1S/C21H20O5/c1-10(2)11-7-13-18(24)17-14(22)9-16-12(5-6-21(3,4)26-16)20(17)25-19(13)15(23)8-11/h5-6,9,11,22H,1,7-8H2,2-4H3
InChIKey
XCESLDIMJGQRPW-UHFFFAOYSA-N
Compound name
6-hydroxy-3,3-dimethyl-9-prop-1-en-2-yl-9,10-dihydro-8H-pyrano[2,3-c]xanthene-7,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

352.13107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 180.5
[M+Na]+ 375.12029 195.4
[M+NH4]+ 370.16489 189.5
[M+K]+ 391.09423 187.1
[M-H]- 351.12379 185.7
[M+Na-2H]- 373.10574 183.4
[M]+ 352.13052 184.4
[M]- 352.13162 184.4
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