Record Information |
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Version | 1.0 |
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Created at | 2022-12-22 20:15:35 UTC |
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Updated at | 2024-04-19 09:37:39 UTC |
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NP-MRD ID | NP0331328 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Oxandrastin D |
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Description | Not Available |
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Structure | [H][C@]12CC[C@@]3(C)[C@@]([H])(C=C(C)[C@@]4(C)C(=O)C(C)=C(O)[C@@]34C(=O)OC)[C@]1(C)C[C@H](O)[C@H](O)C2(C)C InChI=1S/C26H38O6/c1-13-11-17-23(5)12-15(27)20(30)22(3,4)16(23)9-10-24(17,6)26(21(31)32-8)19(29)14(2)18(28)25(13,26)7/h11,15-17,20,27,29-30H,9-10,12H2,1-8H3/t15-,16+,17-,20-,23+,24-,25-,26+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C26H38O6 |
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Average Mass | 446.5840 Da |
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Monoisotopic Mass | 446.26684 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@]12CC[C@@]3(C)[C@@]([H])(C=C(C)[C@@]4(C)C(=O)C(C)=C(O)[C@@]34C(=O)OC)[C@]1(C)C[C@H](O)[C@H](O)C2(C)C |
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InChI Identifier | InChI=1S/C26H38O6/c1-13-11-17-23(5)12-15(27)20(30)22(3,4)16(23)9-10-24(17,6)26(21(31)32-8)19(29)14(2)18(28)25(13,26)7/h11,15-17,20,27,29-30H,9-10,12H2,1-8H3/t15-,16+,17-,20-,23+,24-,25-,26+/m0/s1 |
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InChI Key | ZFJHYIZIFIYVGH-WOZZFCSNSA-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, CD3OD, experimental) | ahmed.elbanna@pharma.cu.edu.eg | Not Available | Not Available | 2022-12-22 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | ahmed.elbanna@pharma.cu.edu.eg | Not Available | Not Available | 2022-12-22 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | ahmed.elbanna@pharma.cu.edu.eg | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental) | ahmed.elbanna@pharma.cu.edu.eg | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | ahmed.elbanna@pharma.cu.edu.eg | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.08 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150.91 MHz, CD3OD, 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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