Sorbitan tristearate

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Systematic / IUPAC Name: [(2R)-2-[(2R,3R,4S)-3,4-di(Octadecanoyloxy)oxolan-2-yl]-2-hydroxyethyl] octadecanoate

ID: Reference7905

Other Names: 1,4-Anhydro-2,3,6-tri-O-stearoyl-D-glucitol;
D-Glucitol, 1,4-anhydro-2,3,6-tris-O-(1-oxooctadecyl)-

Formula: C60H114O8

Class: Extractables/Leachables

Spectral Data

Sorbitan tristearate 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 105
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/9/2018 12:22:24 PM
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Identificators

InChI InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-52-54(61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-66-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59-,60-/m1/s1
InChI Key IDGUCWCSGWRLPK-LLPUSWRMSA-N
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O
CAS 26658195
Splash
Other Names 1,4-Anhydro-2,3,6-tri-O-stearoyl-D-glucitol;
D-Glucitol, 1,4-anhydro-2,3,6-tris-O-(1-oxooctadecyl)-

In Other Databases

ChemSpider 22901003
Wikipedia Sorbitan tristearate
ChEMBL CHEMBL2106033
PubChem 70685120