Record Information |
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Version | 1.0 |
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Created at | 2023-07-29 00:11:25 UTC |
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Updated at | 2024-04-19 09:50:02 UTC |
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NP-MRD ID | NP0331736 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | phomactinine |
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Description | Not Available |
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Structure | C[C@@H]1C[C@H](O)[C@@]23[C@H]4O[C@]4(C)CC\C=C(C)\CC[C@@]1(C)C2=CNC3=O InChI=1S/C20H29NO3/c1-12-6-5-8-19(4)16(24-19)20-14(11-21-17(20)23)18(3,9-7-12)13(2)10-15(20)22/h6,11,13,15-16,22H,5,7-10H2,1-4H3,(H,21,23)/b12-6+/t13-,15+,16+,18-,19-,20-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H29NO3 |
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Average Mass | 331.4560 Da |
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Monoisotopic Mass | 331.21474 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 | C[C@@H]1C[C@H](O)[C@@]23[C@H]4O[C@]4(C)CC\C=C(C)\CC[C@@]1(C)C2=CNC3=O |
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InChI Identifier | InChI=1S/C20H29NO3/c1-12-6-5-8-19(4)16(24-19)20-14(11-21-17(20)23)18(3,9-7-12)13(2)10-15(20)22/h6,11,13,15-16,22H,5,7-10H2,1-4H3,(H,21,23)/b12-6+/t13-,15+,16+,18-,19-,20-/m1/s1 |
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InChI Key | DDFPSYZDBGJXBB-FYVYODAKSA-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, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | rgsberlinck@iqsc.usp.br | Not Available | Not Available | 2023-07-29 | 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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