Record Information |
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Version | 2.0 |
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Created at | 2021-01-06 01:05:31 UTC |
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Updated at | 2021-07-15 17:21:28 UTC |
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NP-MRD ID | NP0015986 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Spiroapplanatumine K |
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Provided By | NPAtlas |
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Description | Spiroapplanatumine K is found in Ganoderma applanatum. It was first documented in 2017 (PMID: 27996259). Based on a literature review very few articles have been published on methyl (2R,2'S,5'R)-5-hydroxy-2'-(3-hydroxyprop-1-en-2-yl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentane]-5'-carboxylate. |
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Structure | [H]OC1=C([H])C([H])=C2O[C@@]3(C(=O)C2=C1[H])[C@]([H])(C(=O)OC([H])([H])[H])C([H])([H])C([H])([H])[C@@]3([H])C(=C([H])[H])C([H])([H])O[H] InChI=1S/C17H18O6/c1-9(8-18)12-4-5-13(16(21)22-2)17(12)15(20)11-7-10(19)3-6-14(11)23-17/h3,6-7,12-13,18-19H,1,4-5,8H2,2H3/t12-,13-,17+/m0/s1 |
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Synonyms | Value | Source |
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Methyl (2R,2's,5'r)-5-hydroxy-2'-(3-hydroxyprop-1-en-2-yl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentane]-5'-carboxylic acid | Generator |
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Chemical Formula | C17H18O6 |
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Average Mass | 318.3250 Da |
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Monoisotopic Mass | 318.11034 Da |
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IUPAC Name | methyl (2R,2'R,5'S)-5-hydroxy-5'-(3-hydroxyprop-1-en-2-yl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylate |
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Traditional Name | methyl (2R,2'R,5'S)-5-hydroxy-5'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylate |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)[C@@H]1CC[C@@H](C(=C)CO)[C@@]11OC2=C(C=C(O)C=C2)C1=O |
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InChI Identifier | InChI=1S/C17H18O6/c1-9(8-18)12-4-5-13(16(21)22-2)17(12)15(20)11-7-10(19)3-6-14(11)23-17/h3,6-7,12-13,18-19H,1,4-5,8H2,2H3/t12-,13-,17+/m0/s1 |
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InChI Key | ORVNVUQPUSWABI-GDZNZVCISA-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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