Record Information |
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Version | 2.0 |
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Created at | 2022-11-21 18:15:35 UTC |
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Updated at | 2024-09-03 04:14:48 UTC |
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NP-MRD ID | NP0331173 |
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Natural Product DOI | https://doi.org/10.57994/0050 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Cacolide G |
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Description | Not Available |
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Structure | CCOC1OC(=O)C(CCCC(C)(O)CC\C=C(/C)CCC[C@@H](C)CC2(O)OC(=O)C(C)=C2)=C1 InChI=1S/C27H42O7/c1-6-32-23-16-22(25(29)33-23)13-9-15-26(5,30)14-8-12-19(2)10-7-11-20(3)17-27(31)18-21(4)24(28)34-27/h12,16,18,20,23,30-31H,6-11,13-15,17H2,1-5H3/b19-12+/t20-,23?,26?,27?/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C27H42O7 |
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Average Mass | 478.6260 Da |
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Monoisotopic Mass | 478.29305 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 | CCOC1OC(=O)C(CCCC(C)(O)CC\C=C(/C)CCC[C@@H](C)CC2(O)OC(=O)C(C)=C2)=C1 |
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InChI Identifier | InChI=1S/C27H42O7/c1-6-32-23-16-22(25(29)33-23)13-9-15-26(5,30)14-8-12-19(2)10-7-11-20(3)17-27(31)18-21(4)24(28)34-27/h12,16,18,20,23,30-31H,6-11,13-15,17H2,1-5H3/b19-12+/t20-,23?,26?,27?/m1/s1 |
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InChI Key | XZDLTZSYWSWQLH-ZKJXZHBBSA-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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1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-11-21 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-11-21 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-11-21 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-11-21 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-11-21 | 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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