Record Information |
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Version | 2.0 |
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Created at | 2021-01-06 01:44:40 UTC |
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Updated at | 2021-07-15 17:23:55 UTC |
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NP-MRD ID | NP0016876 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Lepistatin B |
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Provided By | NPAtlas |
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Description | Lepistatin B is found in Lepista sordida. It was first documented in 2017 (PMID: 28803994). Based on a literature review very few articles have been published on Lepistatin B. |
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Structure | [H]OC1=C(C(=C([H])[H])C([H])([H])O[H])C2=C(C(=O)[C@](C([H])([H])[H])(C([H])([H])O[H])C2([H])[H])C(=C1Cl)C([H])([H])[H] InChI=1S/C15H17ClO4/c1-7(5-17)10-9-4-15(3,6-18)14(20)11(9)8(2)12(16)13(10)19/h17-19H,1,4-6H2,2-3H3/t15-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H17ClO4 |
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Average Mass | 296.7500 Da |
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Monoisotopic Mass | 296.08154 Da |
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IUPAC Name | (2S)-6-chloro-5-hydroxy-2-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-2,7-dimethyl-2,3-dihydro-1H-inden-1-one |
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Traditional Name | (2S)-6-chloro-5-hydroxy-2-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-2,7-dimethyl-3H-inden-1-one |
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CAS Registry Number | Not Available |
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SMILES | CC1=C(Cl)C(O)=C(C(=C)CO)C2=C1C(=O)[C@](C)(CO)C2 |
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InChI Identifier | InChI=1S/C15H17ClO4/c1-7(5-17)10-9-4-15(3,6-18)14(20)11(9)8(2)12(16)13(10)19/h17-19H,1,4-6H2,2-3H3/t15-/m0/s1 |
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InChI Key | LBOLUTRJOKPUEV-HNNXBMFYSA-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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