Record Information |
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Version | 1.0 |
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Created at | 2024-04-23 06:09:12 UTC |
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Updated at | 2024-04-28 18:21:04 UTC |
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NP-MRD ID | NP0332840 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (±)-Penindolene D |
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Description | Not Available |
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Structure | CO[C@H]1CCC(=O)N1CCC1=C(NC2=CC=CC=C12)C(C)(C)C=C InChI=1S/C20H26N2O2/c1-5-20(2,3)19-15(14-8-6-7-9-16(14)21-19)12-13-22-17(23)10-11-18(22)24-4/h5-9,18,21H,1,10-13H2,2-4H3/t18-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H26N2O2 |
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Average Mass | 326.4400 Da |
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Monoisotopic Mass | 326.19943 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 | CO[C@H]1CCC(=O)N1CCC1=C(NC2=CC=CC=C12)C(C)(C)C=C |
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InChI Identifier | InChI=1S/C20H26N2O2/c1-5-20(2,3)19-15(14-8-6-7-9-16(14)21-19)12-13-22-17(23)10-11-18(22)24-4/h5-9,18,21H,1,10-13H2,2-4H3/t18-/m0/s1 |
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InChI Key | PPTBZGNWERYEIM-SFHVURJKSA-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, 500 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C3D6O, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-04-23 | 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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