Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 00:46:25 UTC |
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Updated at | 2021-07-15 16:46:43 UTC |
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NP-MRD ID | NP0003553 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Rhamnosyllactone A |
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Provided By | NPAtlas |
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Description | Rhamnosyllactone A is found in Streptomyces. It was first documented in 2000 (PMID: 11099228). Based on a literature review very few articles have been published on 6-methyl-8a-[(5-oxo-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,5-dihydrofuran-3-yl)methyl]-octahydrofuro[3,4-c]oxepine-1,8-dione. |
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Structure | [H]O[C@@]1([H])[C@]([H])(OC2=C(C([H])([H])[C@@]34C(=O)OC([H])([H])[C@]3([H])C([H])([H])O[C@@]([H])(C([H])([H])[H])C([H])([H])C4=O)C([H])([H])OC2=O)O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H] InChI=1S/C20H26O11/c1-8-3-12(21)20(11(6-27-8)7-29-19(20)26)4-10-5-28-17(25)16(10)31-18-15(24)14(23)13(22)9(2)30-18/h8-9,11,13-15,18,22-24H,3-7H2,1-2H3/t8-,9-,11-,13-,14+,15+,18-,20+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H26O11 |
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Average Mass | 442.4170 Da |
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Monoisotopic Mass | 442.14751 Da |
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IUPAC Name | (3aS,6S,8aR)-6-methyl-8a-[(5-oxo-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,5-dihydrofuran-3-yl)methyl]-octahydrofuro[3,4-c]oxepine-1,8-dione |
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Traditional Name | (3aS,6S,8aR)-6-methyl-8a-[(5-oxo-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2H-furan-3-yl)methyl]-tetrahydro-3H-furo[3,4-c]oxepine-1,8-dione |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1O[C@@H](OC2=C(CC34C(COC3=O)COC(C)CC4=O)COC2=O)[C@H](O)[C@H](O)[C@H]1O |
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InChI Identifier | InChI=1S/C20H26O11/c1-8-3-12(21)20(11(6-27-8)7-29-19(20)26)4-10-5-28-17(25)16(10)31-18-15(24)14(23)13(22)9(2)30-18/h8-9,11,13-15,18,22-24H,3-7H2,1-2H3/t8?,9-,11?,13-,14+,15+,18-,20?/m0/s1 |
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InChI Key | FVWHVLWMEDLBBR-LQSSAWORSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| 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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