3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl propanoate (Asebotoxin I) (CHEM114282)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:31:53 UTC | ||||||||
| Update Date | 2026-05-21 00:41:59 UTC | ||||||||
| Accession Number | CHEM114282 | ||||||||
| Identification | |||||||||
| Common Name | 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl propanoate (Asebotoxin I) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C23H38O7 | ||||||||
| Average Molecular Mass | 426.550 g/mol | ||||||||
| Monoisotopic Mass | 426.262 g/mol | ||||||||
| CAS Registry Number | 23984-17-0 | ||||||||
| IUPAC Name | (3S,6R)-3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl propanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@]1(O)C[C@]2([H])[C@](O)([C@]([H])(O)C[C@]34C[C@@](C)(O)[C@]([H])(CC[C@@]3([H])[C@@]2(C)O)C4([H])OC(=O)CC)C1(C)C | ||||||||
| InChI Identifier | InChI=1S/C23H38O7/c1-6-17(26)30-18-12-7-8-13-21(5,28)14-9-15(24)19(2,3)23(14,29)16(25)10-22(13,18)11-20(12,4)27/h12-16,18,24-25,27-29H,6-11H2,1-5H3/t12-,13+,14+,15+,16-,18?,20-,21-,22+,23+/m1/s1 | ||||||||
| InChI Key | UVIOAKNWFGGRCJ-SZLBESSXSA-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 | ||||||||
