PubChemLite - Erythroskyrine (C26H33NO6)

Structural Information

Molecular Formula

SMILES

C[C@@H]1C[C@@H]2[C@H](O1)[C@@H]([C@@H](O2)/C=C/C=C/C=C/C=C/C=C/C(=C\3/C(=O)[C@@H](N(C3=O)C)C(C)C)/O)O

InChI

InChI=1S/C26H33NO6/c1-16(2)22-24(30)21(26(31)27(22)4)18(28)13-11-9-7-5-6-8-10-12-14-19-23(29)25-20(33-19)15-17(3)32-25/h5-14,16-17,19-20,22-23,25,28-29H,15H2,1-4H3/b6-5+,9-7+,10-8+,13-11+,14-12+,21-18+/t17-,19+,20-,22+,23-,25+/m1/s1

InChIKey

JPNNNEKRFYTZIM-BNALVJLYSA-N

Compound name

(3E,5S)-3-[(2E,4E,6E,8E,10E)-11-[(2R,3aR,5S,6R,6aR)-6-hydroxy-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-1-hydroxyundeca-2,4,6,8,10-pentaenylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione

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]+	456.23805	214.4
[M+Na]+	478.21999	217.8
[M+NH4]+	473.26459	215.4
[M+K]+	494.19393	220.2
[M-H]-	454.22349	213.3
[M+Na-2H]-	476.20544	206.6
[M]+	455.23022	213.6
[M]-	455.23132	213.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

456.23805

214.4

[M+Na]+

478.21999

217.8

[M+NH4]+

473.26459

215.4

[M+K]+

494.19393

220.2

[M-H]-

454.22349

213.3

[M+Na-2H]-

476.20544

206.6

[M]+

455.23022

213.6

[M]-

455.23132

213.6

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

Erythroskyrine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe