Sorbitane trioleate
7903
Reference
Sorbitane trioleate Structure
Systematic / IUPAC Name: [(2S)-2-((2R,3R,4S)-3,4-Bis{[(Z)-octadec-9-enoyl]oxy}oxolan-2-yl)-2-hydroxyethyl] (Z)-octadec-9-enoate
ID: Reference7903
Other Names: Sorbitan, tri-(9Z)-9-octadecenoate
Formula: C60H108O8
Class: Extractables/Leachables
Spectral Data
Sorbitane trioleate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 | 5/9/2018 12:16:13 PM |
Identificators
| InChI | InChI=1S/C60H108O8/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/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/t54-,55-,59+,60+/m0/s1 |
| InChI Key | ZBNRGEMZNWHCGA-SZOQPXBYSA-N |
| Canonical SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(C1C(C(CO1)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)O |
| CAS | 26266580 |
| Splash | |
| Other Names | Sorbitan, tri-(9Z)-9-octadecenoate |