Record Information |
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Version | 1.0 |
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Created at | 2023-03-18 16:00:59 UTC |
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Updated at | 2023-03-18 16:02:26 UTC |
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NP-MRD ID | NP0331559 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Communesin P |
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Description | Not Available |
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Structure | [H][C@]12NC3=C(C=CC=C3)[C@@]34CCN(C(C)=O)C3([H])N3CC[C@]14C1=C(C=CC=C1N2C=O)[C@@]3([H])C=C(C)C InChI=1S/C28H30N4O2/c1-17(2)15-23-19-7-6-10-22-24(19)28-12-14-31(23)26-27(28,11-13-30(26)18(3)34)20-8-4-5-9-21(20)29-25(28)32(22)16-33/h4-10,15-16,23,25-26,29H,11-14H2,1-3H3/t23-,25-,26?,27+,28+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C28H30N4O2 |
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Average Mass | 454.5740 Da |
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Monoisotopic Mass | 454.23688 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 | [H][C@]12NC3=C(C=CC=C3)[C@@]34CCN(C(C)=O)C3([H])N3CC[C@]14C1=C(C=CC=C1N2C=O)[C@@]3([H])C=C(C)C |
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InChI Identifier | InChI=1S/C28H30N4O2/c1-17(2)15-23-19-7-6-10-22-24(19)28-12-14-31(23)26-27(28,11-13-30(26)18(3)34)20-8-4-5-9-21(20)29-25(28)32(22)16-33/h4-10,15-16,23,25-26,29H,11-14H2,1-3H3/t23-,25-,26?,27+,28+/m1/s1 |
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InChI Key | JQDDKHXGBQWWRQ-NZGLNJQNSA-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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NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | catherine.roullier@univ-nantes.fr | Not Available | Not Available | 2023-03-18 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CDCl3, experimental) | catherine.roullier@univ-nantes.fr | Not Available | Not Available | 2023-03-18 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | catherine.roullier@univ-nantes.fr | Not Available | Not Available | 2023-03-18 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | catherine.roullier@univ-nantes.fr | Not Available | Not Available | 2023-03-18 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | catherine.roullier@univ-nantes.fr | Not Available | Not Available | 2023-03-18 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | catherine.roullier@univ-nantes.fr | Not Available | Not Available | 2023-03-18 | 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 | Not Available |
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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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