Record Information |
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Version | 1.0 |
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Created at | 2023-04-04 00:12:40 UTC |
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Updated at | 2023-04-04 00:13:09 UTC |
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NP-MRD ID | NP0331574 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Discopodinolide C |
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Description | Not Available |
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Structure | [H][C@@]12CC[C@H]([C@@H]3C[C@]4(C)C(=O)O[C@@H]3C[C@]4(C)O)[C@@]1(C)C(=O)C[C@@]1([H])[C@@]2([H])[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C InChI=1S/C28H36O7/c1-24-11-13(17(34-23(24)31)12-25(24,2)32)14-7-8-15-20-16(10-19(30)26(14,15)3)27(4)18(29)6-5-9-28(27,33)22-21(20)35-22/h5-6,13-17,20-22,32-33H,7-12H2,1-4H3/t13-,14+,15-,16-,17+,20-,21-,22-,24+,25-,26+,27-,28-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C28H36O7 |
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Average Mass | 484.5890 Da |
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Monoisotopic Mass | 484.24610 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@H]([C@@H]3C[C@]4(C)C(=O)O[C@@H]3C[C@]4(C)O)[C@@]1(C)C(=O)C[C@@]1([H])[C@@]2([H])[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C |
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InChI Identifier | InChI=1S/C28H36O7/c1-24-11-13(17(34-23(24)31)12-25(24,2)32)14-7-8-15-20-16(10-19(30)26(14,15)3)27(4)18(29)6-5-9-28(27,33)22-21(20)35-22/h5-6,13-17,20-22,32-33H,7-12H2,1-4H3/t13-,14+,15-,16-,17+,20-,21-,22-,24+,25-,26+,27-,28-/m0/s1 |
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InChI Key | SYVZODIIOLMUBV-RLTRINGXSA-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, 601 MHz, C2D6OS, experimental) | kibrom.gebreheiwot@aau.edu.et | Not Available | Not Available | 2023-04-04 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 601 MHz, C2D6OS, experimental) | kibrom.gebreheiwot@aau.edu.et | Not Available | Not Available | 2023-04-04 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 601 MHz, C2D6OS, experimental) | kibrom.gebreheiwot@aau.edu.et | Not Available | Not Available | 2023-04-04 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 601 MHz, C2D6OS, experimental) | kibrom.gebreheiwot@aau.edu.et | Not Available | Not Available | 2023-04-04 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C2D6OS, experimental) | kibrom.gebreheiwot@aau.edu.et | Not Available | Not Available | 2023-04-04 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 601 MHz, C2D6OS, experimental) | kibrom.gebreheiwot@aau.edu.et | Not Available | Not Available | 2023-04-04 | 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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