Record Information |
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Version | 1.0 |
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Created at | 2024-05-09 00:55:46 UTC |
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Updated at | 2024-05-10 00:18:47 UTC |
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NP-MRD ID | NP0333104 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Wulfenioidin N |
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Description | Not Available |
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Structure | [H][C@@]12C=CC3=CC(C(C)C)=C4N=C(C)OC4=C3[C@@]1(C)CCCC2(C)C InChI=1S/C22H29NO/c1-13(2)16-12-15-8-9-17-21(4,5)10-7-11-22(17,6)18(15)20-19(16)23-14(3)24-20/h8-9,12-13,17H,7,10-11H2,1-6H3/t17-,22-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C22H29NO |
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Average Mass | 323.4800 Da |
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Monoisotopic Mass | 323.22491 Da |
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IUPAC Name | (7aS,11aS)-2,8,8,11a-tetramethyl-4-(propan-2-yl)-7aH,8H,9H,10H,11H,11aH-phenanthro[3,4-d][1,3]oxazole |
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Traditional Name | (7aS,11aS)-4-isopropyl-2,8,8,11a-tetramethyl-7aH,9H,10H,11H-phenanthro[3,4-d][1,3]oxazole |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]12C=CC3=CC(C(C)C)=C4N=C(C)OC4=C3[C@@]1(C)CCCC2(C)C |
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InChI Identifier | InChI=1S/C22H29NO/c1-13(2)16-12-15-8-9-17-21(4,5)10-7-11-22(17,6)18(15)20-19(16)23-14(3)24-20/h8-9,12-13,17H,7,10-11H2,1-6H3/t17-,22-/m0/s1 |
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InChI Key | JJSXHKIBAFKGQR-JTSKRJEESA-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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COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 393439209@qq.com and liumf@scut.edu.cn | Not Available | Not Available | 2024-05-09 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 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, 400 MHz, CDCl3, experimental) | 393439209@qq.com and liumf@scut.edu.cn | Not Available | Not Available | 2024-05-09 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 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, 101 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 | 1D 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 | 1D NMR | 1H NMR Spectrum (1D, 400 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, 400.152200825, 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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