Viridin (C20H16O6)

Structural Information

Molecular Formula

SMILES

C[C@]12[C@@H]([C@@H](C(=O)C3=COC(=C31)C(=O)C4=C2C=CC5=C4CCC5=O)OC)O

InChI

InChI=1S/C20H16O6/c1-20-11-5-3-8-9(4-6-12(8)21)13(11)16(23)17-14(20)10(7-26-17)15(22)18(25-2)19(20)24/h3,5,7,18-19,24H,4,6H2,1-2H3/t18-,19-,20-/m1/s1

InChIKey

YEIGUXGHHKAURB-VAMGGRTRSA-N

Compound name

(1R,17S,18S)-18-hydroxy-17-methoxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11,16-trione

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]+	353.101976	175.9
[M+Na]+	375.083918	187.0
[M-H]-	351.087424	182.8
[M+NH4]+	370.128523	197.3
[M+K]+	391.057858	183.0
[M+H-H2O]+	335.091960	171.8
[M+HCOO]-	397.092901	190.0
[M+CH3COO]-	411.108551	187.9
[M+Na-2H]-	373.069366	178.0
[M]+	352.09415142	181.1
[M]-	352.09524858	181.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

353.101976

175.9

[M+Na]+

375.083918

187.0

[M-H]-

351.087424

182.8

[M+NH4]+

370.128523

197.3

[M+K]+

391.057858

183.0

[M+H-H2O]+

335.091960

171.8

[M+HCOO]-

397.092901

190.0

[M+CH3COO]-

411.108551

187.9

[M+Na-2H]-

373.069366

178.0

[M]+

352.09415142

181.1

[M]-

352.09524858

181.1

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

Viridin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe