Sorbitan, tris(12-hydroxyoctadecanoate) (CHEM076649)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 16:29:20 UTC | ||||||||
| Update Date | 2026-04-04 16:29:20 UTC | ||||||||
| Accession Number | CHEM076649 | ||||||||
| Identification | |||||||||
| Common Name | Sorbitan, tris(12-hydroxyoctadecanoate) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C60H114O11 | ||||||||
| Average Molecular Mass | 1011.561 g/mol | ||||||||
| Monoisotopic Mass | 1010.836 g/mol | ||||||||
| CAS Registry Number | 93963-95-2 | ||||||||
| IUPAC Name | [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(12-hydroxyoctadecanoyloxy)ethyl]-4-(12-hydroxyoctadecanoyloxy)oxolan-3-yl] 12-hydroxyoctadecanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCC(O)CCCCCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](OC(=O)CCCCCCCCCCC(O)CCCCCC)[C@H]1OC(=O)CCCCCCCCCCC(O)CCCCCC | ||||||||
| InChI Identifier | InChI=1S/C60H114O11/c1-4-7-10-31-40-51(62)43-34-25-19-13-16-22-28-37-46-56(65)69-54(49-61)59-60(71-58(67)48-39-30-24-18-15-21-27-36-45-53(64)42-33-12-9-6-3)55(50-68-59)70-57(66)47-38-29-23-17-14-20-26-35-44-52(63)41-32-11-8-5-2/h51-55,59-64H,4-50H2,1-3H3/t51-,52+,53-,54-,55+,59-,60-/m1/s1 | ||||||||
| InChI Key | NVIBSPDSEWSWGY-RWWAATTFSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
