Record Information |
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Version | 1.0 |
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Created at | 2024-04-20 01:36:33 UTC |
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Updated at | 2024-04-20 02:29:37 UTC |
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NP-MRD ID | NP0332794 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Levinoid B |
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Description | Not Available |
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Structure | [H][C@]12C=C([C@@H](O)C[C@@]1([H])C(C)=CC[C@H]2C(C)C)C(O)=O InChI=1S/C15H22O3/c1-8(2)10-5-4-9(3)11-7-14(16)13(15(17)18)6-12(10)11/h4,6,8,10-12,14,16H,5,7H2,1-3H3,(H,17,18)/t10-,11-,12+,14-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H22O3 |
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Average Mass | 250.3380 Da |
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Monoisotopic Mass | 250.15689 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12C=C([C@@H](O)C[C@@]1([H])C(C)=CC[C@H]2C(C)C)C(O)=O |
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InChI Identifier | InChI=1S/C15H22O3/c1-8(2)10-5-4-9(3)11-7-14(16)13(15(17)18)6-12(10)11/h4,6,8,10-12,14,16H,5,7H2,1-3H3,(H,17,18)/t10-,11-,12+,14-/m0/s1 |
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InChI Key | SDXAZWVCYHBSSJ-FMSGJZPZSA-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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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental) | tangjianwei@ust.hk | The Hong Kong University of Science and Technology (HKUST) | Tang Jianwei | 2024-04-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CDCl3, experimental) | tangjianwei@ust.hk | The Hong Kong University of Science and Technology (HKUST) | Tang Jianwei | 2024-04-20 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental) | tangjianwei@ust.hk | The Hong Kong University of Science and Technology (HKUST) | Tang Jianwei | 2024-04-20 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental) | tangjianwei@ust.hk | The Hong Kong University of Science and Technology (HKUST) | Tang Jianwei | 2024-04-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, CDCl3, experimental) | tangjianwei@ust.hk | The Hong Kong University of Science and Technology (HKUST) | Tang Jianwei | 2024-04-20 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental) | tangjianwei@ust.hk | The Hong Kong University of Science and Technology (HKUST) | Tang Jianwei | 2024-04-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, CDCl3, experimental) | tangjianwei@ust.hk | The Hong Kong University of Science and Technology (HKUST) | Tang Jianwei | 2024-04-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, CDCl3, experimental) | tangjianwei@ust.hk | The Hong Kong University of Science and Technology (HKUST) | Tang Jianwei | 2024-04-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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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, 800.32494218, CDCl3, simulated) | tangjianwei@ust.hk | The Hong Kong University of Science and Technology (HKUST) | Tang Jianwei | 2024-04-20 | View Spectrum |
| 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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