Record Information |
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Version | 1.0 |
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Created at | 2024-03-21 13:45:34 UTC |
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Updated at | 2024-04-24 20:26:51 UTC |
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NP-MRD ID | NP0332684 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Anthoteibinene B |
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Description | Not Available |
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Structure | CC(C)C1CCC2=C(CN(C)C)OC3=C2C1=C(O)C(C)=C3 InChI=1/C18H25NO2/c1-10(2)12-6-7-13-15(9-19(4)5)21-14-8-11(3)18(20)17(12)16(13)14/h8,10,12,20H,6-7,9H2,1-5H3 |
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Synonyms | Not Available |
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Chemical Formula | C18H25NO2 |
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Average Mass | 287.4030 Da |
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Monoisotopic Mass | 287.18853 Da |
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IUPAC Name | 3-[(dimethylamino)methyl]-10-methyl-7-(propan-2-yl)-2-oxatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraen-9-ol |
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Traditional Name | 3-[(dimethylamino)methyl]-7-isopropyl-10-methyl-2-oxatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraen-9-ol |
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CAS Registry Number | Not Available |
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SMILES | CC(C)C1CCC2=C(CN(C)C)OC3=C2C1=C(O)C(C)=C3 |
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InChI Identifier | InChI=1/C18H25NO2/c1-10(2)12-6-7-13-15(9-19(4)5)21-14-8-11(3)18(20)17(12)16(13)14/h8,10,12,20H,6-7,9H2,1-5H3 |
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InChI Key | RERBELRZDRTGBS-UHFFFAOYNA-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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