PubChemLite - Fusoxypene a (C25H40)

Structural Information

Molecular Formula

SMILES

C[C@@H]1CC[C@@]23[C@@H](CC[C@@H]2[C@]3(C4=C1C[C@@]5(CC[C@H]([C@H]5C4)C(C)C)C)C)C

InChI

InChI=1S/C25H40/c1-15(2)18-10-11-23(5)14-19-16(3)9-12-25-17(4)7-8-22(25)24(25,6)21(19)13-20(18)23/h15-18,20,22H,7-14H2,1-6H3/t16-,17-,18+,20-,22-,23+,24-,25-/m1/s1

InChIKey

ZUDOUHDDSIJHEB-IGCMXNHPSA-N

Compound name

(2R,3S,6R,7R,10R,13S,16S,17R)-2,6,10,13-tetramethyl-16-propan-2-ylpentacyclo[9.7.0.02,7.03,7.013,17]octadec-1(11)-ene

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]+	341.32028	182.5
[M+Na]+	363.30222	189.0
[M-H]-	339.30572	190.2
[M+NH4]+	358.34682	202.7
[M+K]+	379.27616	183.2
[M+H-H2O]+	323.31026	178.7
[M+HCOO]-	385.31120	190.7
[M+CH3COO]-	399.32685	191.2
[M+Na-2H]-	361.28767	179.2
[M]+	340.31245	179.5
[M]-	340.31355	179.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

341.32028

182.5

[M+Na]+

363.30222

189.0

[M-H]-

339.30572

190.2

[M+NH4]+

358.34682

202.7

[M+K]+

379.27616

183.2

[M+H-H2O]+

323.31026

178.7

[M+HCOO]-

385.31120

190.7

[M+CH3COO]-

399.32685

191.2

[M+Na-2H]-

361.28767

179.2

[M]+

340.31245

179.5

[M]-

340.31355

179.5

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

Fusoxypene a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe