[(1S,2R,7aR)-Hexahydro-2-hydroxy-1H-pyrrolizin-1-yl]methyl (2Z)-2-methyl-2-butenoate (Macrophyllin) (CHEM114404)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:45:13 UTC | ||||||||
| Update Date | 2026-05-21 01:18:47 UTC | ||||||||
| Accession Number | CHEM114404 | ||||||||
| Identification | |||||||||
| Common Name | [(1S,2R,7aR)-Hexahydro-2-hydroxy-1H-pyrrolizin-1-yl]methyl (2Z)-2-methyl-2-butenoate (Macrophyllin) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H21NO3 | ||||||||
| Average Molecular Mass | 239.315 g/mol | ||||||||
| Monoisotopic Mass | 239.152 g/mol | ||||||||
| CAS Registry Number | 27841-97-0 | ||||||||
| IUPAC Name | [(1S,2R,7aR)-2-Hydroxyhexahydro-1H-pyrrolizin-1-yl]methyl (2Z)-2-methylbut-2-enoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC=C(C)C(=O)OC[C@H]1[C@@H](O)CN2CCC[C@H]12 | ||||||||
| InChI Identifier | InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-8-10-11-5-4-6-14(11)7-12(10)15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11-,12+/m1/s1 | ||||||||
| InChI Key | LVZCTOQMFLAKLI-CSZIUDOQSA-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
