CID 131751918

Furanojaponin

Structural Information

Molecular Formula
C20H28O3
SMILES
C/C=C(\C)/C(=O)OC1CC(C2(CC3=C(CC2C1)OC=C3C)C)C
InChI
InChI=1S/C20H28O3/c1-6-12(2)19(21)23-16-7-14(4)20(5)10-17-13(3)11-22-18(17)9-15(20)8-16/h6,11,14-16H,7-10H2,1-5H3/b12-6+
InChIKey
DDJITDJHDCLHOK-WUXMJOGZSA-N
Compound name
(3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-7-yl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.20386 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 177.3
[M+Na]+ 339.19308 187.2
[M+NH4]+ 334.23768 186.7
[M+K]+ 355.16702 181.0
[M-H]- 315.19658 180.1
[M+Na-2H]- 337.17853 178.6
[M]+ 316.20331 179.5
[M]- 316.20441 179.5
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.