PubChemLite - Goshonoside f7 (C32H54O12)

Structural Information

Molecular Formula

SMILES

C/C(=C/COC1C(C(C(C(O1)CO)O)O)O)/CCC2C(=C)CCC3C2(CCC(C3(C)C)OC4C(C(C(C(O4)CO)O)O)O)C

InChI

InChI=1S/C32H54O12/c1-16(11-13-41-29-27(39)25(37)23(35)19(14-33)42-29)6-8-18-17(2)7-9-21-31(3,4)22(10-12-32(18,21)5)44-30-28(40)26(38)24(36)20(15-34)43-30/h11,18-30,33-40H,2,6-10,12-15H2,1,3-5H3/b16-11-

InChIKey

HILPXFUUVMCHIZ-WJDWOHSUSA-N

Compound name

2-[(Z)-5-[5,5,8a-trimethyl-2-methylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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]+	631.36878	239.7
[M+Na]+	653.35072	237.9
[M+NH4]+	648.39532	238.1
[M+K]+	669.32466	242.5
[M-H]-	629.35422	230.9
[M+Na-2H]-	651.33617	255.8
[M]+	630.36095	236.2
[M]-	630.36205	236.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

631.36878

239.7

[M+Na]+

653.35072

237.9

[M+NH4]+

648.39532

238.1

[M+K]+

669.32466

242.5

[M-H]-

629.35422

230.9

[M+Na-2H]-

651.33617

255.8

[M]+

630.36095

236.2

[M]-

630.36205

236.2

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

Goshonoside f7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe