Record Information |
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Version | 1.0 |
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Created at | 2022-12-22 12:01:51 UTC |
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Updated at | 2024-04-19 09:36:04 UTC |
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NP-MRD ID | NP0331299 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Chrysosporazine U |
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Description | Not Available |
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Structure | [H][C@]1(CC2=CC(OC)=C3OCOC3=C2)CN(C(=O)C2=CC=CC=C2)[C@@]([H])(CC2=CC=CC=C2)CN1C(C)=O InChI=1S/C29H30N2O5/c1-20(32)30-17-25(13-21-9-5-3-6-10-21)31(29(33)23-11-7-4-8-12-23)18-24(30)14-22-15-26(34-2)28-27(16-22)35-19-36-28/h3-12,15-16,24-25H,13-14,17-19H2,1-2H3/t24-,25-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C29H30N2O5 |
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Average Mass | 486.5680 Da |
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Monoisotopic Mass | 486.21547 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)CN(C(=O)C2=CC=CC=C2)[C@@]([H])(CC2=CC=CC=C2)CN1C(C)=O |
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InChI Identifier | InChI=1S/C29H30N2O5/c1-20(32)30-17-25(13-21-9-5-3-6-10-21)31(29(33)23-11-7-4-8-12-23)18-24(30)14-22-15-26(34-2)28-27(16-22)35-19-36-28/h3-12,15-16,24-25H,13-14,17-19H2,1-2H3/t24-,25-/m0/s1 |
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InChI Key | RWMCGGZZLJUQHT-DQEYMECFSA-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 | 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 (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150.91 MHz, C2D6OS, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.08 MHz, C2D6OS, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.08 MHz, C2D6OS, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | 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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