Record Information |
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Version | 1.0 |
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Created at | 2024-05-08 21:14:06 UTC |
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Updated at | 2024-05-10 00:17:11 UTC |
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NP-MRD ID | NP0333074 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | ajucampylanoid I |
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Description | Not Available |
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Structure | [H][C@]12CCCC(=C)[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1 InChI=1S/C20H30O3/c1-13-6-5-7-16-19(3,9-8-15-11-18(22)23-12-15)14(2)10-17(21)20(13,16)4/h11,14,16-17,21H,1,5-10,12H2,2-4H3/t14-,16-,17+,19+,20+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H30O3 |
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Average Mass | 318.4570 Da |
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Monoisotopic Mass | 318.21949 Da |
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IUPAC Name | 4-{2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-1,2,4a-trimethyl-5-methylidene-decahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-one |
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Traditional Name | 4-{2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-1,2,4a-trimethyl-5-methylidene-hexahydro-2H-naphthalen-1-yl]ethyl}-5H-furan-2-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12CCCC(=C)[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1 |
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InChI Identifier | InChI=1S/C20H30O3/c1-13-6-5-7-16-19(3,9-8-15-11-18(22)23-12-15)14(2)10-17(21)20(13,16)4/h11,14,16-17,21H,1,5-10,12H2,2-4H3/t14-,16-,17+,19+,20+/m1/s1 |
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InChI Key | VGOJAFJCONHIHC-QMALUCSJSA-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, 500 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | 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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