Record Information |
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Version | 2.0 |
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Created at | 2022-11-17 18:32:52 UTC |
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Updated at | 2024-09-03 04:14:44 UTC |
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NP-MRD ID | NP0331145 |
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Natural Product DOI | https://doi.org/10.57994/0019 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Azachrysosporazine B1 |
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Description | Based on a literature review very few articles have been published on CHEMBL5081790. |
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Structure | [H][C@@]1(CN2C(=O)C3=C(N=CC=C3)[C@]([H])(C3=CC(OC)=C4OCOC4=C3)[C@@]2([H])CN1C(C)=O)C(=O)C1=CC=CC=C1 InChI=1S/C28H25N3O6/c1-16(32)30-13-20-24(18-11-22(35-2)27-23(12-18)36-15-37-27)25-19(9-6-10-29-25)28(34)31(20)14-21(30)26(33)17-7-4-3-5-8-17/h3-12,20-21,24H,13-15H2,1-2H3/t20-,21-,24-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C28H25N3O6 |
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Average Mass | 499.5230 Da |
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Monoisotopic Mass | 499.17434 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@@]1(CN2C(=O)C3=C(N=CC=C3)[C@]([H])(C3=CC(OC)=C4OCOC4=C3)[C@@]2([H])CN1C(C)=O)C(=O)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C28H25N3O6/c1-16(32)30-13-20-24(18-11-22(35-2)27-23(12-18)36-15-37-27)25-19(9-6-10-29-25)28(34)31(20)14-21(30)26(33)17-7-4-3-5-8-17/h3-12,20-21,24H,13-15H2,1-2H3/t20-,21-,24-/m1/s1 |
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InChI Key | YTRVQLIKOYPSDZ-PQNGQFLHSA-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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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 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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