Fusarenon x (C17H22O8)

Structural Information

Molecular Formula

SMILES

CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO

InChI

InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11-,12-,13-,14-,15-,16-,17+/m1/s1

InChIKey

XGCUCFKWVIWWNW-CAYGJDLQSA-N

Compound name

[(1S,2R,3S,7R,9R,10R,11S,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate

Related CIDs

2D Structure

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]+	355.138746	174.2
[M+Na]+	377.120688	184.5
[M-H]-	353.124194	179.2
[M+NH4]+	372.165293	188.5
[M+K]+	393.094628	184.2
[M+H-H2O]+	337.128730	172.9
[M+HCOO]-	399.129671	181.1
[M+CH3COO]-	413.145321	211.1
[M+Na-2H]-	375.106136	179.2
[M]+	354.13092142	182.2
[M]-	354.13201858	182.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

355.138746

174.2

[M+Na]+

377.120688

184.5

[M-H]-

353.124194

179.2

[M+NH4]+

372.165293

188.5

[M+K]+

393.094628

184.2

[M+H-H2O]+

337.128730

172.9

[M+HCOO]-

399.129671

181.1

[M+CH3COO]-

413.145321

211.1

[M+Na-2H]-

375.106136

179.2

[M]+

354.13092142

182.2

[M]-

354.13201858

182.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fusarenon x

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe