PubChemLite - Momordioside f1 (C37H60O8)

Structural Information

Molecular Formula

SMILES

CC(C/C=C/C(C)(C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)OC4)C)C

InChI

InChI=1S/C37H60O8/c1-22(10-9-15-32(2,3)42-8)23-13-16-35(7)25-14-17-37-26(36(25,21-43-37)19-18-34(23,35)6)11-12-27(33(37,4)5)45-31-30(41)29(40)28(39)24(20-38)44-31/h9,14-15,17,22-31,38-41H,10-13,16,18-21H2,1-8H3/b15-9+

InChIKey

MQGABSJZVJOSCX-OQLLNIDSSA-N

Compound name

2-(hydroxymethyl)-6-[[8-[(E)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]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]+	633.43611	247.2
[M+Na]+	655.41805	247.8
[M-H]-	631.42155	249.9
[M+NH4]+	650.46265	259.6
[M+K]+	671.39199	246.0
[M+H-H2O]+	615.42609	243.7
[M+HCOO]-	677.42703	239.2
[M+CH3COO]-	691.44268	262.7
[M+Na-2H]-	653.40350	243.7
[M]+	632.42828	246.2
[M]-	632.42938	246.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

633.43611

247.2

[M+Na]+

655.41805

247.8

[M-H]-

631.42155

249.9

[M+NH4]+

650.46265

259.6

[M+K]+

671.39199

246.0

[M+H-H2O]+

615.42609

243.7

[M+HCOO]-

677.42703

239.2

[M+CH3COO]-

691.44268

262.7

[M+Na-2H]-

653.40350

243.7

[M]+

632.42828

246.2

[M]-

632.42938

246.2

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

Momordioside f1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe