PubChemLite - 1-o-b-d-glucopyranosyl-2,3-di-o-(8-hexadecenoyl)glycerol (C41H74O10)

Structural Information

Molecular Formula

SMILES

CCCCCCC/C=C/CCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCC/C=C/CCCCCCC

InChI

InChI=1S/C41H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-32-34(33-49-41-40(47)39(46)38(45)35(31-42)51-41)50-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,34-35,38-42,45-47H,3-14,19-33H2,1-2H3/b17-15+,18-16+

InChIKey

LJGDLFGTFICYEJ-YTEMWHBBSA-N

Compound name

[2-[(E)-hexadec-8-enoyl]oxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-hexadec-8-enoate

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]+	727.53548	279.0
[M+Na]+	749.51742	277.9
[M+NH4]+	744.56202	277.2
[M+K]+	765.49136	278.4
[M-H]-	725.52092	268.6
[M+Na-2H]-	747.50287	276.9
[M]+	726.52765	275.9
[M]-	726.52875	275.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

727.53548

279.0

[M+Na]+

749.51742

277.9

[M+NH4]+

744.56202

277.2

[M+K]+

765.49136

278.4

[M-H]-

725.52092

268.6

[M+Na-2H]-

747.50287

276.9

[M]+

726.52765

275.9

[M]-

726.52875

275.9

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

1-o-b-d-glucopyranosyl-2,3-di-o-(8-hexadecenoyl)glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe