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: 2
Patents: 316.20386 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	317.211136	177.7
[M+Na]+	339.193078	183.7
[M-H]-	315.196584	182.8
[M+NH4]+	334.237683	197.2
[M+K]+	355.167018	181.0
[M+H-H2O]+	299.201120	172.6
[M+HCOO]-	361.202061	191.0
[M+CH3COO]-	375.217711	210.1
[M+Na-2H]-	337.178526	176.7
[M]+	316.20331142	177.8
[M]-	316.20440858	177.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.