PubChemLite - Lycoperoside d (C39H65NO12)

Structural Information

Molecular Formula

SMILES

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)NC1

InChI

InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3

InChIKey

KNFKROLCBJOHLX-UHFFFAOYSA-N

Compound name

2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl)oxyoxan-3-yl]oxy-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]+	740.45798	267.4
[M+Na]+	762.43992	265.6
[M+NH4]+	757.48452	265.6
[M+K]+	778.41386	272.4
[M-H]-	738.44342	259.4
[M+Na-2H]-	760.42537	275.4
[M]+	739.45015	264.1
[M]-	739.45125	264.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

740.45798

267.4

[M+Na]+

762.43992

265.6

[M+NH4]+

757.48452

265.6

[M+K]+

778.41386

272.4

[M-H]-

738.44342

259.4

[M+Na-2H]-

760.42537

275.4

[M]+

739.45015

264.1

[M]-

739.45125

264.1

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

Lycoperoside d

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe