PubChemLite - Schisandrin (C24H32O7)

Structural Information

Molecular Formula

SMILES

CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC

InChI

InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3

InChIKey

YEFOAORQXAOVJQ-UHFFFAOYSA-N

Compound name

3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-ol

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]+	433.22208	197.2
[M+Na]+	455.20402	201.0
[M+NH4]+	450.24862	199.1
[M+K]+	471.17796	197.7
[M-H]-	431.20752	197.5
[M+Na-2H]-	453.18947	196.9
[M]+	432.21425	197.8
[M]-	432.21535	197.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.22208

197.2

[M+Na]+

455.20402

201.0

[M+NH4]+

450.24862

199.1

[M+K]+

471.17796

197.7

[M-H]-

431.20752

197.5

[M+Na-2H]-

453.18947

196.9

[M]+

432.21425

197.8

[M]-

432.21535

197.8

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

Schisandrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe