CID 392462

Teretifolione b

Structural Information

Molecular Formula
C20H20O4
SMILES
CC(=CCC[C@@]1(C=CC2=C(O1)C=CC3=C2C(=O)C(=O)C=C3O)C)C
InChI
InChI=1S/C20H20O4/c1-12(2)5-4-9-20(3)10-8-14-17(24-20)7-6-13-15(21)11-16(22)19(23)18(13)14/h5-8,10-11,21H,4,9H2,1-3H3/t20-/m1/s1
InChIKey
ULIRHDIBWMJFFC-HXUWFJFHSA-N
Compound name
(3R)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

324.13617 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 174.5
[M+Na]+ 347.12539 183.5
[M-H]- 323.12889 179.4
[M+NH4]+ 342.16999 191.3
[M+K]+ 363.09933 179.6
[M+H-H2O]+ 307.13343 167.9
[M+HCOO]- 369.13437 189.8
[M+CH3COO]- 383.15002 209.8
[M+Na-2H]- 345.11084 178.3
[M]+ 324.13562 176.9
[M]- 324.13672 176.9
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