Record Information |
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Version | 1.0 |
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Created at | 2021-06-21 00:56:06 UTC |
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Updated at | 2021-06-30 00:19:18 UTC |
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NP-MRD ID | NP0043561 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | fimbricalyxlactone B |
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Provided By | JEOL Database![JEOL Logo](/attributions/jeol_logo.png) |
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Description | fimbricalyxlactone B is found in Strophioblachia fimbricalyx. It was first documented in 2013 (Seephonkai, P., et al.). |
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Structure | [H]C1=C2C(=O)O[C@@]3(OC(=O)C(C([H])([H])[H])(C([H])([H])[H])C3([H])[H])C2=C([H])C(OC([H])([H])[H])=C1C([H])([H])[H] InChI=1S/C15H16O5/c1-8-5-9-10(6-11(8)18-4)15(19-12(9)16)7-14(2,3)13(17)20-15/h5-6H,7H2,1-4H3/t15-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H16O5 |
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Average Mass | 276.2880 Da |
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Monoisotopic Mass | 276.09977 Da |
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IUPAC Name | (1R)-6-methoxy-4',4',5-trimethyl-3H-spiro[2-benzofuran-1,2'-oxolane]-3,5'-dione |
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Traditional Name | (1R)-6-methoxy-4',4',5-trimethylspiro[2-benzofuran-1,2'-oxolane]-3,5'-dione |
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CAS Registry Number | Not Available |
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SMILES | [H]C1=C2C(=O)O[C@@]3(OC(=O)C(C([H])([H])[H])(C([H])([H])[H])C3([H])[H])C2=C([H])C(OC([H])([H])[H])=C1C([H])([H])[H] |
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InChI Identifier | InChI=1S/C15H16O5/c1-8-5-9-10(6-11(8)18-4)15(19-12(9)16)7-14(2,3)13(17)20-15/h5-6H,7H2,1-4H3/t15-/m0/s1 |
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InChI Key | NJITUSULIXTUSP-HNNXBMFYSA-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 | |
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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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