Record Information |
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Version | 1.0 |
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Created at | 2021-06-19 17:39:32 UTC |
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Updated at | 2021-06-29 23:50:36 UTC |
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NP-MRD ID | NP0025571 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 13,14-dihydroxy-3,4-anhydrofloridanolide |
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Provided By | JEOL Database |
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Description | 13,14-dihydroxy-3,4-anhydrofloridanolide is found in Illicium floridanum. It was first documented in 2001 (PMID: 11325218). Based on a literature review very few articles have been published on 3,4-Dehydro-13,14-dihydroxyfloridanolide. |
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Structure | [H]OC([H])([H])C1(C2=C([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]22C([H])([H])[C@@]([H])(OC(=O)[C@]2([H])O[H])[C@@]1(O[H])C([H])([H])[H])C([H])([H])O[H] InChI=1S/C15H22O6/c1-8-3-4-9-14(6-16,7-17)13(2,20)10-5-15(8,9)11(18)12(19)21-10/h4,8,10-11,16-18,20H,3,5-7H2,1-2H3/t8-,10-,11+,13+,15-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H22O6 |
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Average Mass | 298.3350 Da |
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Monoisotopic Mass | 298.14164 Da |
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IUPAC Name | (1R,2R,7R,8R,11R)-7,11-dihydroxy-6,6-bis(hydroxymethyl)-2,7-dimethyl-9-oxatricyclo[6.3.1.0^{1,5}]dodec-4-en-10-one |
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Traditional Name | (1R,2R,7R,8R,11R)-7,11-dihydroxy-6,6-bis(hydroxymethyl)-2,7-dimethyl-9-oxatricyclo[6.3.1.0^{1,5}]dodec-4-en-10-one |
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CAS Registry Number | Not Available |
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SMILES | [H]OC([H])([H])C1(C2=C([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]22C([H])([H])[C@@]([H])(OC(=O)[C@]2([H])O[H])[C@@]1(O[H])C([H])([H])[H])C([H])([H])O[H] |
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InChI Identifier | InChI=1S/C15H22O6/c1-8-3-4-9-14(6-16,7-17)13(2,20)10-5-15(8,9)11(18)12(19)21-10/h4,8,10-11,16-18,20H,3,5-7H2,1-2H3/t8-,10-,11+,13+,15-/m1/s1 |
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InChI Key | CSAQCZOWKUSOKN-OXDNQEBSSA-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, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, CDCl3, 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 | Species Name | Source | Reference |
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Illicium floridanum | JEOL database | - Schmidt, T. J., et al, J. Nat. prod. 64, 411 (2001)
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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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