PubChemLite - Schisandrin c (C22H24O6)

Structural Information

Molecular Formula

SMILES

C[C@@H]1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C[C@@H]1C)OCO5)OC)OC)OCO3

InChI

InChI=1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3/t11-,12+

InChIKey

HTBWBWWADZJXID-TXEJJXNPSA-N

Compound name

(12S,13R)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene

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]+	385.16458	191.9
[M+Na]+	407.14652	195.7
[M+NH4]+	402.19112	194.2
[M+K]+	423.12046	194.3
[M-H]-	383.15002	194.0
[M+Na-2H]-	405.13197	190.2
[M]+	384.15675	193.1
[M]-	384.15785	193.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

385.16458

191.9

[M+Na]+

407.14652

195.7

[M+NH4]+

402.19112

194.2

[M+K]+

423.12046

194.3

[M-H]-

383.15002

194.0

[M+Na-2H]-

405.13197

190.2

[M]+

384.15675

193.1

[M]-

384.15785

193.1

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

Schisandrin c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe