Record Information |
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Version | 1.0 |
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Created at | 2022-09-03 23:49:45 UTC |
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Updated at | 2022-09-03 23:49:45 UTC |
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NP-MRD ID | NP0184650 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 6,16-dimethoxy-12,14-dimethyl-10-oxo-14-azapentacyclo[10.3.3.1²,⁵.0¹,¹¹.0³,⁸]nonadec-8-en-4-yl acetate |
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Description | 6,16-Dimethoxy-12,14-dimethyl-10-oxo-14-azapentacyclo[10.3.3.1²,⁵.0¹,¹¹.0³,⁸]Nonadec-8-en-4-yl acetate belongs to the class of organic compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. 6,16-dimethoxy-12,14-dimethyl-10-oxo-14-azapentacyclo[10.3.3.1²,⁵.0¹,¹¹.0³,⁸]nonadec-8-en-4-yl acetate is found in Aconitum vilmorinianum. Based on a literature review very few articles have been published on 6,16-dimethoxy-12,14-dimethyl-10-oxo-14-azapentacyclo[10.3.3.1²,⁵.0¹,¹¹.0³,⁸]Nonadec-8-en-4-yl acetate. |
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Structure | COC1CC2=CC(=O)C3C4(C)CCC(OC)C3(CN(C)C4)C3CC1C(OC(C)=O)C23 InChI=1S/C24H35NO5/c1-13(26)30-21-15-10-16-20(21)14(9-18(15)28-4)8-17(27)22-23(2)7-6-19(29-5)24(16,22)12-25(3)11-23/h8,15-16,18-22H,6-7,9-12H2,1-5H3 |
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Synonyms | Value | Source |
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6,16-Dimethoxy-12,14-dimethyl-10-oxo-14-azapentacyclo[10.3.3.1,.0,.0,]nonadec-8-en-4-yl acetic acid | Generator |
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Chemical Formula | C24H35NO5 |
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Average Mass | 417.5460 Da |
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Monoisotopic Mass | 417.25152 Da |
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IUPAC Name | 6,16-dimethoxy-12,14-dimethyl-10-oxo-14-azapentacyclo[10.3.3.1^{2,5}.0^{1,11}.0^{3,8}]nonadec-8-en-4-yl acetate |
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Traditional Name | 6,16-dimethoxy-12,14-dimethyl-10-oxo-14-azapentacyclo[10.3.3.1^{2,5}.0^{1,11}.0^{3,8}]nonadec-8-en-4-yl acetate |
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CAS Registry Number | Not Available |
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SMILES | COC1CC2=CC(=O)C3C4(C)CCC(OC)C3(CN(C)C4)C3CC1C(OC(C)=O)C23 |
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InChI Identifier | InChI=1S/C24H35NO5/c1-13(26)30-21-15-10-16-20(21)14(9-18(15)28-4)8-17(27)22-23(2)7-6-19(29-5)24(16,22)12-25(3)11-23/h8,15-16,18-22H,6-7,9-12H2,1-5H3 |
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InChI Key | RXSZDMHSNAIKQI-UHFFFAOYSA-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 piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. |
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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 | Not Available |
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Direct Parent | Piperidines |
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Alternative Parents | |
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Substituents | - Piperidine
- Amino acid or derivatives
- Carboxylic acid ester
- Ketone
- Tertiary amine
- Tertiary aliphatic amine
- Carboxylic acid derivative
- Dialkyl ether
- Ether
- Monocarboxylic acid or derivatives
- Azacycle
- Carbonyl group
- Organopnictogen compound
- Organic nitrogen compound
- Amine
- Organic oxygen compound
- Organonitrogen compound
- Organooxygen compound
- Organic oxide
- Hydrocarbon derivative
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic 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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