Record Information |
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Version | 1.0 |
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Created at | 2021-06-19 17:39:39 UTC |
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Updated at | 2021-06-29 23:50:37 UTC |
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NP-MRD ID | NP0025574 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 7,14-ortholactone-3alpha-hydroxyfloridanolide |
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Provided By | JEOL Database |
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Description | 7,14-ortholactone-3alpha-hydroxyfloridanolide is found in Illicium merrillianum. It was first documented in 2001 (Huang, J.-m, et al.). |
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Structure | [H]O[C@]1([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]23C([H])([H])[C@@]4([H])O[C@](O[H])(OC([H])([H])[C@@](C([H])([H])[H])([C@@]12O[H])[C@]4(O[H])C([H])([H])[H])[C@]3([H])O[H] InChI=1S/C15H24O7/c1-7-4-8(16)14(19)11(2)6-21-15(20)10(17)13(7,14)5-9(22-15)12(11,3)18/h7-10,16-20H,4-6H2,1-3H3/t7-,8-,9-,10-,11-,12+,13+,14+,15-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H24O7 |
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Average Mass | 316.3500 Da |
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Monoisotopic Mass | 316.15220 Da |
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IUPAC Name | (1R,2R,3R,5R,6S,8R,10R,13R,14R)-1,5,13-trimethyl-9,11-dioxatetracyclo[6.4.1.1^{6,10}.0^{2,6}]tetradecane-2,3,10,13,14-pentol |
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Traditional Name | (1R,2R,3R,5R,6S,8R,10R,13R,14R)-1,5,13-trimethyl-9,11-dioxatetracyclo[6.4.1.1^{6,10}.0^{2,6}]tetradecane-2,3,10,13,14-pentol |
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CAS Registry Number | Not Available |
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SMILES | [H]O[C@]1([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]23C([H])([H])[C@@]4([H])O[C@](O[H])(OC([H])([H])[C@@](C([H])([H])[H])([C@@]12O[H])[C@]4(O[H])C([H])([H])[H])[C@]3([H])O[H] |
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InChI Identifier | InChI=1S/C15H24O7/c1-7-4-8(16)14(19)11(2)6-21-15(20)10(17)13(7,14)5-9(22-15)12(11,3)18/h7-10,16-20H,4-6H2,1-3H3/t7-,8-,9-,10-,11-,12+,13+,14+,15-/m1/s1 |
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InChI Key | FXSXIGSJZASIME-BGNNOPAUSA-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, 600 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, CD3OD, 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 merrillianum | JEOL database | - Huang, J.-m, et al, J. Nat. Prod. 64, 428 (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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