PubChemLite - Goshonoside f1 (C26H44O8)

Structural Information

Molecular Formula

SMILES

C/C(=C\COC1C(C(C(C(O1)CO)O)O)O)/CCC2C(=C)CCC3C2(CCC(C3(C)CO)O)C

InChI

InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+

InChIKey

JAFZKPLEKRHFFD-XNTDXEJSSA-N

Compound name

2-[(E)-5-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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]+	485.31090	218.2
[M+Na]+	507.29284	218.9
[M-H]-	483.29634	215.9
[M+NH4]+	502.33744	225.6
[M+K]+	523.26678	216.0
[M+H-H2O]+	467.30088	213.4
[M+HCOO]-	529.30182	216.8
[M+CH3COO]-	543.31747	232.4
[M+Na-2H]-	505.27829	211.9
[M]+	484.30307	212.9
[M]-	484.30417	212.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.31090

218.2

[M+Na]+

507.29284

218.9

[M-H]-

483.29634

215.9

[M+NH4]+

502.33744

225.6

[M+K]+

523.26678

216.0

[M+H-H2O]+

467.30088

213.4

[M+HCOO]-

529.30182

216.8

[M+CH3COO]-

543.31747

232.4

[M+Na-2H]-

505.27829

211.9

[M]+

484.30307

212.9

[M]-

484.30417

212.9

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

Goshonoside f1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe