Record Information |
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Version | 2.0 |
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Created at | 2024-10-18 15:53:48 UTC |
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Updated at | 2024-10-20 00:03:10 UTC |
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NP-MRD ID | NP0341900 |
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Natural Product DOI | https://doi.org/10.57994/3388 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Furanosuberitandiol |
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Description | Based on a literature review very few articles have been published on Furanosuberitandiol. |
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Structure | [H][C@]12CC(=O)[C@@]3(O)[C@H](OC4=C3C=C(O)C(C)=C4)[C@]1(C)C[C@@H](OC(C)=O)[C@@]1([H])C(C)(C)CCC[C@]21C InChI=1S/C27H36O6/c1-14-10-18-16(11-17(14)29)27(31)21(30)12-20-25(5)9-7-8-24(3,4)22(25)19(32-15(2)28)13-26(20,6)23(27)33-18/h10-11,19-20,22-23,29,31H,7-9,12-13H2,1-6H3/t19-,20-,22+,23-,25-,26-,27-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C27H36O6 |
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Average Mass | 456.5790 Da |
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Monoisotopic Mass | 456.25119 Da |
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IUPAC Name | (1R,2R,10S,13R,14R,19S,20R)-7,10-dihydroxy-1,6,14,18,18-pentamethyl-11-oxo-3-oxapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{14,19}]henicosa-4(9),5,7-trien-20-yl acetate |
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Traditional Name | (1R,2R,10S,13R,14R,19S,20R)-7,10-dihydroxy-1,6,14,18,18-pentamethyl-11-oxo-3-oxapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{14,19}]henicosa-4(9),5,7-trien-20-yl acetate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12CC(=O)[C@@]3(O)[C@H](OC4=C3C=C(O)C(C)=C4)[C@]1(C)C[C@@H](OC(C)=O)[C@@]1([H])C(C)(C)CCC[C@]21C |
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InChI Identifier | InChI=1S/C27H36O6/c1-14-10-18-16(11-17(14)29)27(31)21(30)12-20-25(5)9-7-8-24(3,4)22(25)19(32-15(2)28)13-26(20,6)23(27)33-18/h10-11,19-20,22-23,29,31H,7-9,12-13H2,1-6H3/t19-,20-,22+,23-,25-,26-,27-/m1/s1 |
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InChI Key | JYWQJBKJHMKAKX-UXVZFQKTSA-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, 400 MHz, CDCl3, experimental) | olsens@usf.edu | University of South Florida | Bill J. Baker | 2024-10-18 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | olsens@usf.edu | University of South Florida | Bill J. Baker | 2024-10-18 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | olsens@usf.edu | University of South Florida | Bill J. Baker | 2024-10-18 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | olsens@usf.edu | University of South Florida | Bill J. Baker | 2024-10-18 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | olsens@usf.edu | University of South Florida | Bill J. Baker | 2024-10-18 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | olsens@usf.edu | University of South Florida | Bill J. Baker | 2024-10-18 | 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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