| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-07 03:56:45 UTC |
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| Updated at | 2022-09-07 03:56:45 UTC |
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| NP-MRD ID | NP0243405 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1r,3s,5s)-3-[(1r)-1-hydroxy-2-(2-hydroxy-6-oxo-4,5-dihydro-3h-pyridin-4-yl)ethyl]-1,5-dimethyl-4-oxocyclohexyl acetate |
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| Description | UNII-UX3Y1I395S belongs to the class of organic compounds known as piperidinediones. Piperidinediones are compounds containing a piperidine ring which bears two ketones. (1r,3s,5s)-3-[(1r)-1-hydroxy-2-(2-hydroxy-6-oxo-4,5-dihydro-3h-pyridin-4-yl)ethyl]-1,5-dimethyl-4-oxocyclohexyl acetate is found in Streptomyces pulveraceus. Based on a literature review very few articles have been published on UNII-UX3Y1I395S. |
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| Structure | C[C@H]1C[C@](C)(C[C@@H]([C@H](O)CC2CC(O)=NC(=O)C2)C1=O)OC(C)=O InChI=1S/C17H25NO6/c1-9-7-17(3,24-10(2)19)8-12(16(9)23)13(20)4-11-5-14(21)18-15(22)6-11/h9,11-13,20H,4-8H2,1-3H3,(H,18,21,22)/t9-,12-,13+,17+/m0/s1 |
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| Synonyms | | Value | Source |
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| Acetoxycycloheximide | MeSH | | Streptovitacin e-73 | MeSH |
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| Chemical Formula | C17H25NO6 |
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| Average Mass | 339.3880 Da |
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| Monoisotopic Mass | 339.16819 Da |
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| IUPAC Name | (1R,3S,5S)-3-[(1R)-1-hydroxy-2-(6-hydroxy-2-oxo-2,3,4,5-tetrahydropyridin-4-yl)ethyl]-1,5-dimethyl-4-oxocyclohexyl acetate |
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| Traditional Name | (1R,3S,5S)-3-[(1R)-1-hydroxy-2-(2-hydroxy-6-oxo-4,5-dihydro-3H-pyridin-4-yl)ethyl]-1,5-dimethyl-4-oxocyclohexyl acetate |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@H]1C[C@](C)(C[C@@H]([C@H](O)CC2CC(O)=NC(=O)C2)C1=O)OC(C)=O |
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| InChI Identifier | InChI=1S/C17H25NO6/c1-9-7-17(3,24-10(2)19)8-12(16(9)23)13(20)4-11-5-14(21)18-15(22)6-11/h9,11-13,20H,4-8H2,1-3H3,(H,18,21,22)/t9-,12-,13+,17+/m0/s1 |
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| InChI Key | UFDHNJJHPSGMFX-SQUSCZTCSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as piperidinediones. Piperidinediones are compounds containing a piperidine ring which bears two ketones. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Piperidines |
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| Sub Class | Piperidinones |
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| Direct Parent | Piperidinediones |
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| Alternative Parents | |
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| Substituents | - Piperidinedione
- Delta-lactam
- Carboxylic acid imide
- Dicarboximide
- Carboxylic acid imide, n-unsubstituted
- Carboxylic acid ester
- Ketone
- Lactam
- Secondary alcohol
- Cyclic ketone
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Azacycle
- Organonitrogen compound
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organic nitrogen compound
- Alcohol
- Organooxygen compound
- Organic oxygen compound
- Organopnictogen compound
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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