CID 146000663

Capillasterin a

Structural Information

Molecular Formula
C18H16O6
SMILES
CCCC1=CC(=O)C2=C(O1)C=C(C3=C2OC(=O)C=C3OC)C(=O)C
InChI
InChI=1S/C18H16O6/c1-4-5-10-6-12(20)17-14(23-10)7-11(9(2)19)16-13(22-3)8-15(21)24-18(16)17/h6-8H,4-5H2,1-3H3
InChIKey
UZDYUTNMVCVGOB-UHFFFAOYSA-N
Compound name
5-acetyl-4-methoxy-8-propylpyrano[2,3-h]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 170.9
[M+Na]+ 351.08392 183.6
[M-H]- 327.08742 179.4
[M+NH4]+ 346.12852 185.1
[M+K]+ 367.05786 182.9
[M+H-H2O]+ 311.09196 163.2
[M+HCOO]- 373.09290 192.0
[M+CH3COO]- 387.10855 212.7
[M+Na-2H]- 349.06937 177.7
[M]+ 328.09415 182.3
[M]- 328.09525 182.3
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

No patent data available for this compound.