1-O-[5-({5-[(3,5-Dihydroxydecanoyl)oxy]-3-hydroxydecanoyl}oxy)-3-hydroxydecanoyl]hexitol

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Systematic / IUPAC Name: {3-Hydroxy-1-[3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl]oxy-1-oxodecan-5-yl} 3,5-dihydroxydecanoate

ID: Reference8061

Other Names: Hexitol, 1-O-[5-({5-[(3,5-dihydroxy-1-oxodecyl)oxy]-3-hydroxy-1-oxodecyl}oxy)-3-hydroxy-1-oxodecyl]-

Formula: C36H68O15

Spectral Data

1-O-[5-({5-[(3,5-Dihydroxydecanoyl)oxy]-3-hydroxydecanoyl}oxy)-3-hydroxydecanoyl]hexitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/12/2018 8:12:02 AM
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Identificators

InChI InChI=1S/C36H68O15/c1-4-7-10-13-24(38)16-25(39)20-33(45)50-29(15-12-9-6-3)18-27(41)21-34(46)51-28(14-11-8-5-2)17-26(40)19-32(44)49-23-31(43)36(48)35(47)30(42)22-37/h24-31,35-43,47-48H,4-23H2,1-3H3
InChI Key VVUAHGLHHLVKDR-UHFFFAOYSA-N
Canonical SMILES CCCCCC(CC(CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(CC(=O)OCC(C(C(C(CO)O)O)O)O)O)O)O)O
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Other Names Hexitol, 1-O-[5-({5-[(3,5-dihydroxy-1-oxodecyl)oxy]-3-hydroxy-1-oxodecyl}oxy)-3-hydroxy-1-oxodecyl]-

In Other Databases

PubChem 44715195
ChemSpider 22369720