PubChemLite - Lariciresinol (C20H24O6)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)O

InChI

InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1

InChIKey

MHXCIKYXNYCMHY-AUSJPIAWSA-N

Compound name

4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol

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]+	361.16458	185.5
[M+Na]+	383.14652	197.3
[M+NH4]+	378.19112	191.3
[M+K]+	399.12046	194.1
[M-H]-	359.15002	190.1
[M+Na-2H]-	381.13197	189.7
[M]+	360.15675	188.4
[M]-	360.15785	188.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

361.16458

185.5

[M+Na]+

383.14652

197.3

[M+NH4]+

378.19112

191.3

[M+K]+

399.12046

194.1

[M-H]-

359.15002

190.1

[M+Na-2H]-

381.13197

189.7

[M]+

360.15675

188.4

[M]-

360.15785

188.4

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

Lariciresinol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe