Record Information |
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Version | 2.0 |
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Created at | 2022-12-22 12:05:04 UTC |
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Updated at | 2024-09-03 04:15:16 UTC |
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NP-MRD ID | NP0331300 |
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Natural Product DOI | https://doi.org/10.57994/0209 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Neochrysosporazine R |
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Description | Not Available |
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Structure | [H][C@]1(CC2=CC(OC)=C3OCOC3=C2)CN2C(=O)C3=C(C=NC=C3)[C@]([H])(C3=CC=CC=C3)[C@@]2([H])CN1C(C)=O InChI=1S/C28H27N3O5/c1-17(32)30-15-23-26(19-6-4-3-5-7-19)22-13-29-9-8-21(22)28(33)31(23)14-20(30)10-18-11-24(34-2)27-25(12-18)35-16-36-27/h3-9,11-13,20,23,26H,10,14-16H2,1-2H3/t20-,23+,26-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C28H27N3O5 |
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Average Mass | 485.5400 Da |
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Monoisotopic Mass | 485.19507 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(CC2=CC(OC)=C3OCOC3=C2)CN2C(=O)C3=C(C=NC=C3)[C@]([H])(C3=CC=CC=C3)[C@@]2([H])CN1C(C)=O |
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InChI Identifier | InChI=1S/C28H27N3O5/c1-17(32)30-15-23-26(19-6-4-3-5-7-19)22-13-29-9-8-21(22)28(33)31(23)14-20(30)10-18-11-24(34-2)27-25(12-18)35-16-36-27/h3-9,11-13,20,23,26H,10,14-16H2,1-2H3/t20-,23+,26-/m0/s1 |
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InChI Key | XJUKXQTXUDRQOS-CLLDFNAGSA-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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HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | 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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