Record Information |
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Version | 2.0 |
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Created at | 2022-09-10 01:24:41 UTC |
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Updated at | 2022-09-10 01:24:41 UTC |
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NP-MRD ID | NP0293416 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.0¹,⁶.0³,⁸]hexadecane-7,16-dione |
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Description | 8-Hydroxy-5-methyl-12-azatetracyclo[10.4.0.0¹,⁶.0³,⁸]Hexadecane-7,16-dione belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. 8-Hydroxy-5-methyl-12-azatetracyclo[10.4.0.0¹,⁶.0³,⁸]Hexadecane-7,16-dione is a very strong basic compound (based on its pKa). |
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Structure | CC1CC2CC34C1C(=O)C2(O)CCCN3CCCC4=O InChI=1S/C16H23NO3/c1-10-8-11-9-15-12(18)4-2-6-17(15)7-3-5-16(11,20)14(19)13(10)15/h10-11,13,20H,2-9H2,1H3 |
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Synonyms | Not Available |
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Chemical Formula | C16H23NO3 |
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Average Mass | 277.3640 Da |
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Monoisotopic Mass | 277.16779 Da |
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IUPAC Name | 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.0¹,⁶.0³,⁸]hexadecane-7,16-dione |
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Traditional Name | 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.0¹,⁶.0³,⁸]hexadecane-7,16-dione |
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CAS Registry Number | Not Available |
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SMILES | CC1CC2CC34C1C(=O)C2(O)CCCN3CCCC4=O |
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InChI Identifier | InChI=1S/C16H23NO3/c1-10-8-11-9-15-12(18)4-2-6-17(15)7-3-5-16(11,20)14(19)13(10)15/h10-11,13,20H,2-9H2,1H3 |
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InChI Key | WSCKIDSKYVDXBA-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 | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Azaspirodecane derivatives |
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Sub Class | Not Available |
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Direct Parent | Azaspirodecane derivatives |
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Alternative Parents | |
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Substituents | - Azaspirodecane
- Piperidinone
- Piperidine
- Cyclic alcohol
- Tertiary alcohol
- Tertiary aliphatic amine
- Tertiary amine
- Ketone
- Azacycle
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- Carbonyl group
- Organic nitrogen compound
- Amine
- Hydrocarbon derivative
- Organic oxide
- 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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