Record Information |
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Version | 1.0 |
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Created at | 2024-05-09 07:03:39 UTC |
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Updated at | 2024-05-11 00:24:47 UTC |
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NP-MRD ID | NP0333113 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Wulfenioidin L |
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Description | Not Available |
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Structure | CC(C)C1=C2N=C(C)OC2=C2C(=C1)C(=O)C=C1C(C)(C)CCC[C@]21C InChI=1S/C22H27NO2/c1-12(2)14-10-15-16(24)11-17-21(4,5)8-7-9-22(17,6)18(15)20-19(14)23-13(3)25-20/h10-12H,7-9H2,1-6H3/t22-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C22H27NO2 |
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Average Mass | 337.4630 Da |
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Monoisotopic Mass | 337.20418 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 | CC(C)C1=C2N=C(C)OC2=C2C(=C1)C(=O)C=C1C(C)(C)CCC[C@]21C |
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InChI Identifier | InChI=1S/C22H27NO2/c1-12(2)14-10-15-16(24)11-17-21(4,5)8-7-9-22(17,6)18(15)20-19(14)23-13(3)25-20/h10-12H,7-9H2,1-6H3/t22-/m0/s1 |
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InChI Key | YJDNPRJRUHQWRN-QFIPXVFZSA-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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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | 393439209@qq.com and liumf@scut.edu.cn | Not Available | Not Available | 2024-05-09 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | 393439209@qq.com and liumf@scut.edu.cn | Not Available | Not Available | 2024-05-09 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | 393439209@qq.com and liumf@scut.edu.cn | Not Available | Not Available | 2024-05-09 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | 393439209@qq.com and liumf@scut.edu.cn | Not Available | Not Available | 2024-05-09 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | 393439209@qq.com and liumf@scut.edu.cn | Not Available | Not Available | 2024-05-09 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | 393439209@qq.com and liumf@scut.edu.cn | Not Available | Not Available | 2024-05-09 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | 393439209@qq.com and liumf@scut.edu.cn | Not Available | Not Available | 2024-05-09 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | 393439209@qq.com and liumf@scut.edu.cn | Not Available | Not Available | 2024-05-09 | 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, 600.230706647, CDCl3, simulated) | Not Available | Not Available | Not Available | 2024-05-09 | 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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General References | - Tu WC, Huang YX, Li B, Jiang YJ, Yang QY, Zeb MA, Yang PY, Wang HJ, Li XL, Xiao WL, Zheng CB, Liu MF: Wulfenioidins D-N, Structurally Diverse Diterpenoids with Anti-Zika Virus Activity Isolated from Orthosiphon wulfenioides. J Nat Prod. 2023 Oct 27;86(10):2348-2359. doi: 10.1021/acs.jnatprod.3c00543. Epub 2023 Sep 22. [PubMed:37737089 ]
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