Record Information |
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Version | 1.0 |
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Created at | 2024-03-21 13:53:37 UTC |
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Updated at | 2024-04-24 20:26:54 UTC |
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NP-MRD ID | NP0332688 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Anthoteibinene F |
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Description | Not Available |
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Structure | [H][C@@]12C=C(C)C[C@@]3(O)OC(=O)C(CC[C@@H]1C(C)C)=C23 InChI=1S/C15H20O3/c1-8(2)10-4-5-11-13-12(10)6-9(3)7-15(13,17)18-14(11)16/h6,8,10,12,17H,4-5,7H2,1-3H3/t10-,12-,15-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H20O3 |
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Average Mass | 248.3220 Da |
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Monoisotopic Mass | 248.14124 Da |
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IUPAC Name | (1R,7R,8S)-1-hydroxy-10-methyl-7-(propan-2-yl)-2-oxatricyclo[6.3.1.0^{4,12}]dodeca-4(12),9-dien-3-one |
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Traditional Name | (1R,7R,8S)-1-hydroxy-7-isopropyl-10-methyl-2-oxatricyclo[6.3.1.0^{4,12}]dodeca-4(12),9-dien-3-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]12C=C(C)C[C@@]3(O)OC(=O)C(CC[C@@H]1C(C)C)=C23 |
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InChI Identifier | InChI=1S/C15H20O3/c1-8(2)10-4-5-11-13-12(10)6-9(3)7-15(13,17)18-14(11)16/h6,8,10,12,17H,4-5,7H2,1-3H3/t10-,12-,15-/m1/s1 |
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InChI Key | DCFMBIFCAAFNLH-IXPVHAAZSA-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, 600 MHz, CDCl3, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 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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