Record Information |
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Version | 2.0 |
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Created at | 2024-03-21 14:01:26 UTC |
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Updated at | 2024-09-03 04:20:01 UTC |
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NP-MRD ID | NP0332692 |
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Natural Product DOI | https://doi.org/10.57994/1952 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Anthoteibinene J |
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Description | Not Available |
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Structure | CC(C)[C@H]1CCC2=COC3=C2C1=CC(C)=C3O InChI=1S/C15H18O2/c1-8(2)11-5-4-10-7-17-15-13(10)12(11)6-9(3)14(15)16/h6-8,11,16H,4-5H2,1-3H3/t11-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H18O2 |
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Average Mass | 230.3070 Da |
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Monoisotopic Mass | 230.13068 Da |
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IUPAC Name | (7R)-10-methyl-7-(propan-2-yl)-2-oxatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraen-11-ol |
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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-11-ol |
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CAS Registry Number | Not Available |
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SMILES | CC(C)[C@H]1CCC2=COC3=C2C1=CC(C)=C3O |
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InChI Identifier | InChI=1S/C15H18O2/c1-8(2)11-5-4-10-7-17-15-13(10)12(11)6-9(3)14(15)16/h6-8,11,16H,4-5H2,1-3H3/t11-/m1/s1 |
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InChI Key | XAQAYWKSYNOZOQ-LLVKDONJSA-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, 600 MHz, C2D6OS, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | 1D_ NMR | 1H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | 1D_ NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, 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 | Species Name | Source | Reference |
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Anthothela grandiflora | | |
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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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