Record Information |
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Version | 1.0 |
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Created at | 2024-05-08 20:56:44 UTC |
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Updated at | 2024-05-10 00:16:51 UTC |
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NP-MRD ID | NP0333070 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | ajucampylanoid E |
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Description | Not Available |
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Structure | [H][C@]12CCC[C@](O)(CO)[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CCC1=COC=C1 InChI=1S/C20H32O4/c1-14-11-17(22)19(3)16(5-4-8-20(19,23)13-21)18(14,2)9-6-15-7-10-24-12-15/h7,10,12,14,16-17,21-23H,4-6,8-9,11,13H2,1-3H3/t14-,16-,17+,18+,19+,20+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H32O4 |
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Average Mass | 336.4720 Da |
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Monoisotopic Mass | 336.23006 Da |
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IUPAC Name | (1R,4aR,5S,6R,8S,8aS)-5-[2-(furan-3-yl)ethyl]-1-(hydroxymethyl)-5,6,8a-trimethyl-decahydronaphthalene-1,8-diol |
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Traditional Name | (1R,4aR,5S,6R,8S,8aS)-5-[2-(furan-3-yl)ethyl]-1-(hydroxymethyl)-5,6,8a-trimethyl-hexahydro-2H-naphthalene-1,8-diol |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12CCC[C@](O)(CO)[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CCC1=COC=C1 |
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InChI Identifier | InChI=1S/C20H32O4/c1-14-11-17(22)19(3)16(5-4-8-20(19,23)13-21)18(14,2)9-6-15-7-10-24-12-15/h7,10,12,14,16-17,21-23H,4-6,8-9,11,13H2,1-3H3/t14-,16-,17+,18+,19+,20+/m1/s1 |
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InChI Key | FIBLARFVVFQPJL-QIXFSGBHSA-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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HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 400 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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