Record Information |
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Version | 2.0 |
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Created at | 2024-05-08 21:48:27 UTC |
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Updated at | 2024-09-03 04:21:09 UTC |
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NP-MRD ID | NP0333083 |
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Natural Product DOI | https://doi.org/10.57994/2382 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | ajucampylanoid R |
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Description | ajucampylanoid R was first documented in 2023 (PMID: 37566645). Based on a literature review very few articles have been published on ajucampylanoid R. |
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Structure | [H][C@]12CCCC(=C)[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CCC1=C[C@@H](OCC)O[C@H]1OCC InChI=1S/C24H40O4/c1-7-26-21-15-18(22(28-21)27-8-2)12-13-23(5)17(4)14-20(25)24(6)16(3)10-9-11-19(23)24/h15,17,19-22,25H,3,7-14H2,1-2,4-6H3/t17-,19-,20+,21+,22-,23+,24+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C24H40O4 |
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Average Mass | 392.5800 Da |
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Monoisotopic Mass | 392.29266 Da |
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IUPAC Name | (1S,3R,4S,4aR,8aR)-4-{2-[(2R,5S)-2,5-diethoxy-2,5-dihydrofuran-3-yl]ethyl}-3,4,8a-trimethyl-8-methylidene-decahydronaphthalen-1-ol |
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Traditional Name | (1S,3R,4S,4aR,8aR)-4-{2-[(2R,5S)-2,5-diethoxy-2,5-dihydrofuran-3-yl]ethyl}-3,4,8a-trimethyl-8-methylidene-hexahydro-1H-naphthalen-1-ol |
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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=C[C@@H](OCC)O[C@H]1OCC |
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InChI Identifier | InChI=1S/C24H40O4/c1-7-26-21-15-18(22(28-21)27-8-2)12-13-23(5)17(4)14-20(25)24(6)16(3)10-9-11-19(23)24/h15,17,19-22,25H,3,7-14H2,1-2,4-6H3/t17-,19-,20+,21+,22-,23+,24+/m1/s1 |
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InChI Key | YFWZMTHNMBVPTC-WGNNLXJVSA-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, 400 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | 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 | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 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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campylantha | | |
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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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