(4,13,29-trisulfooxy-6,25,48-triazatridecacyclo[25.18.2.139,42.02,22.05,21.07,20.08,17.010,15.024,46.028,41.031,40.033,38.043,47]octatetraconta-1,3,5(21),6,8,10,12,15,17,19,22,24(46),25,27,29,31,33,35,37,39(48),40,43(47),44-tricosaen-44-yl) hydrogen sulfate (CHEM352669)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 03:27:26 UTC | ||||||||
| Update Date | 2026-09-01 03:27:26 UTC | ||||||||
| Accession Number | CHEM352669 | ||||||||
| Identification | |||||||||
| Common Name | (4,13,29-trisulfooxy-6,25,48-triazatridecacyclo[25.18.2.139,42.02,22.05,21.07,20.08,17.010,15.024,46.028,41.031,40.033,38.043,47]octatetraconta-1,3,5(21),6,8,10,12,15,17,19,22,24(46),25,27,29,31,33,35,37,39(48),40,43(47),44-tricosaen-44-yl) hydrogen sulfate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM352669: (4,13,29-trisulfooxy-6,25,48-triazatridecacyclo[25.18.2.139,42.02,22.05,21.07,20.08,17.010,15.024,46.028,41.031,40.033,38.043,47]octatetraconta-1,3,5(21),6,8,10,12,15,17,19,22,24(46),25,27,29,31,33,35,37,39(48),40,43(47),44-tricosaen-44-yl) hydrogen sulfate
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C45H23N3O16S4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 988.996 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1C(=CC=C2C1=CC3=CC=C4C5=C(C(=CC6=C7C=C(C8=C9C7=C(C=C65)N=CC9=C1C(=CC5=CC6=CC=CC=C6C6=NC8C1=C56)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)N=C4C3=C2)OS(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C45H23N3O16S4/c49-65(50,51)61-23-7-5-18-12-26-20(9-21(18)11-23)6-8-25-36-28-14-31-37-29(27(28)15-34(64-68(58,59)60)44(36)47-42(25)26)16-33(63-67(55,56)57)40-39(37)30(17-46-31)38-32(62-66(52,53)54)13-22-10-19-3-1-2-4-24(19)43-35(22)41(38)45(40)48-43/h1-10,12-17,45H,11H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60) | ||||||||
| InChI Key | QEBVCYXAJIADRR-UHFFFAOYSA-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 | |||||||||
| 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 | ||||||||
