Record Information |
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Version | 2.0 |
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Created at | 2022-11-21 17:53:29 UTC |
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Updated at | 2024-09-03 04:14:47 UTC |
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NP-MRD ID | NP0331164 |
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Natural Product DOI | https://doi.org/10.57994/0041 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Cacolide F |
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Description | Not Available |
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Structure | C[C@H](CCC\C(C)=C\CCC(C)(O)CCCC1=CC(O)OC1=O)CC1(O)OC(=O)C(C)=C1 InChI=1S/C25H38O7/c1-17(8-5-9-18(2)15-25(30)16-19(3)22(27)32-25)10-6-12-24(4,29)13-7-11-20-14-21(26)31-23(20)28/h10,14,16,18,21,26,29-30H,5-9,11-13,15H2,1-4H3/b17-10+/t18-,21?,24?,25?/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C25H38O7 |
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Average Mass | 450.5720 Da |
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Monoisotopic Mass | 450.26175 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 | C[C@H](CCC\C(C)=C\CCC(C)(O)CCCC1=CC(O)OC1=O)CC1(O)OC(=O)C(C)=C1 |
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InChI Identifier | InChI=1S/C25H38O7/c1-17(8-5-9-18(2)15-25(30)16-19(3)22(27)32-25)10-6-12-24(4,29)13-7-11-20-14-21(26)31-23(20)28/h10,14,16,18,21,26,29-30H,5-9,11-13,15H2,1-4H3/b17-10+/t18-,21?,24?,25?/m1/s1 |
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InChI Key | KXMHYQMLFBJWTO-SVTQVMBDSA-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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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 | 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 | 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 | 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 | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-11-21 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 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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