Record Information |
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Version | 1.0 |
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Created at | 2024-03-21 13:48:33 UTC |
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Updated at | 2024-04-24 20:26:52 UTC |
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NP-MRD ID | NP0332685 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Anthoteibinene C |
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Description | Not Available |
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Structure | CC(C)[C@H]1CCC2=C(CN(C)C)OC3=C2C1=CC(C)=C3 InChI=1S/C18H25NO/c1-11(2)13-6-7-14-17(10-19(4)5)20-16-9-12(3)8-15(13)18(14)16/h8-9,11,13H,6-7,10H2,1-5H3/t13-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C18H25NO |
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Average Mass | 271.4040 Da |
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Monoisotopic Mass | 271.19361 Da |
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IUPAC Name | dimethyl({[(7R)-10-methyl-7-(propan-2-yl)-2-oxatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraen-3-yl]methyl})amine |
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Traditional Name | {[(7R)-7-isopropyl-10-methyl-2-oxatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraen-3-yl]methyl}dimethylamine |
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CAS Registry Number | Not Available |
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SMILES | CC(C)[C@H]1CCC2=C(CN(C)C)OC3=C2C1=CC(C)=C3 |
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InChI Identifier | InChI=1S/C18H25NO/c1-11(2)13-6-7-14-17(10-19(4)5)20-16-9-12(3)8-15(13)18(14)16/h8-9,11,13H,6-7,10H2,1-5H3/t13-/m1/s1 |
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InChI Key | ISOQTESCOIZKJS-CYBMUJFWSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D_ NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | 1D_ NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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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Classification | Not classified |
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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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