Record Information |
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Version | 1.0 |
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Created at | 2024-03-21 13:51:57 UTC |
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Updated at | 2024-04-24 20:26:53 UTC |
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NP-MRD ID | NP0332687 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Anthoteibinene E |
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Description | Not Available |
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Structure | [H][C@@]12[C@H](CCC(C(=O)N(C)C)=C1C(=O)C=C(C)[C@@H]2O)C(C)C InChI=1S/C17H25NO3/c1-9(2)11-6-7-12(17(21)18(4)5)14-13(19)8-10(3)16(20)15(11)14/h8-9,11,15-16,20H,6-7H2,1-5H3/t11-,15-,16+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C17H25NO3 |
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Average Mass | 291.3910 Da |
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Monoisotopic Mass | 291.18344 Da |
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IUPAC Name | (4R,4aR,5R)-5-hydroxy-N,N,6-trimethyl-8-oxo-4-(propan-2-yl)-2,3,4,4a,5,8-hexahydronaphthalene-1-carboxamide |
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Traditional Name | (4R,4aR,5R)-5-hydroxy-4-isopropyl-N,N,6-trimethyl-8-oxo-3,4,4a,5-tetrahydro-2H-naphthalene-1-carboxamide |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]12[C@H](CCC(C(=O)N(C)C)=C1C(=O)C=C(C)[C@@H]2O)C(C)C |
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InChI Identifier | InChI=1S/C17H25NO3/c1-9(2)11-6-7-12(17(21)18(4)5)14-13(19)8-10(3)16(20)15(11)14/h8-9,11,15-16,20H,6-7H2,1-5H3/t11-,15-,16+/m1/s1 |
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InChI Key | GBXJZCGTDSDPRF-LYRGGWFBSA-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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NOESY 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 | 1H NMR Spectrum (1D, 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 | 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 | 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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