PubChemLite - Lariciresinol-sesquilignan (C30H36O10)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)O

InChI

InChI=1S/C30H36O10/c1-36-25-11-17(4-7-22(25)33)10-20-16-39-30(21(20)14-31)19-6-9-24(27(13-19)38-3)40-28(15-32)29(35)18-5-8-23(34)26(12-18)37-2/h4-9,11-13,20-21,28-35H,10,14-16H2,1-3H3

InChIKey

MWGNJVCCJCKLGJ-UHFFFAOYSA-N

Compound name

1-(4-hydroxy-3-methoxyphenyl)-2-[4-[4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]propane-1,3-diol

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]+	557.23811	230.1
[M+Na]+	579.22005	231.4
[M-H]-	555.22355	237.1
[M+NH4]+	574.26465	230.8
[M+K]+	595.19399	231.2
[M+H-H2O]+	539.22809	220.3
[M+HCOO]-	601.22903	240.2
[M+CH3COO]-	615.24468	245.4
[M+Na-2H]-	577.20550	222.6
[M]+	556.23028	235.1
[M]-	556.23138	235.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

557.23811

230.1

[M+Na]+

579.22005

231.4

[M-H]-

555.22355

237.1

[M+NH4]+

574.26465

230.8

[M+K]+

595.19399

231.2

[M+H-H2O]+

539.22809

220.3

[M+HCOO]-

601.22903

240.2

[M+CH3COO]-

615.24468

245.4

[M+Na-2H]-

577.20550

222.6

[M]+

556.23028

235.1

[M]-

556.23138

235.1

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

Lariciresinol-sesquilignan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe