Record Information |
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Version | 2.0 |
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Created at | 2024-05-08 21:32:07 UTC |
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Updated at | 2024-09-03 04:21:08 UTC |
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NP-MRD ID | NP0333079 |
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Natural Product DOI | https://doi.org/10.57994/2378 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | ajucampylanoid N |
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Description | ajucampylanoid N was first documented in 2023 (PMID: 37566645). |
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Structure | [H][C@]12CCCC(=C)[C@]1(C)CC[C@@H](C)[C@]2(C)CC\C(CO)=C\CO InChI=1S/C20H34O2/c1-15-6-5-7-18-19(15,3)11-8-16(2)20(18,4)12-9-17(14-22)10-13-21/h10,16,18,21-22H,1,5-9,11-14H2,2-4H3/b17-10-/t16-,18+,19+,20+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H34O2 |
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Average Mass | 306.4900 Da |
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Monoisotopic Mass | 306.25588 Da |
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IUPAC Name | (2Z)-2-{2-[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-decahydronaphthalen-1-yl]ethyl}but-2-ene-1,4-diol |
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Traditional Name | (2Z)-2-{2-[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-hexahydro-2H-naphthalen-1-yl]ethyl}but-2-ene-1,4-diol |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12CCCC(=C)[C@]1(C)CC[C@@H](C)[C@]2(C)CC\C(CO)=C\CO |
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InChI Identifier | InChI=1S/C20H34O2/c1-15-6-5-7-18-19(15,3)11-8-16(2)20(18,4)12-9-17(14-22)10-13-21/h10,16,18,21-22H,1,5-9,11-14H2,2-4H3/b17-10-/t16-,18+,19+,20+/m1/s1 |
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InChI Key | CDILLMOUCAUBDM-MPZBOKFQSA-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, 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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| 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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