Record Information |
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Version | 1.0 |
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Created at | 2021-06-21 00:42:04 UTC |
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Updated at | 2021-06-30 00:18:48 UTC |
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NP-MRD ID | NP0043233 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | marphenol D |
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Provided By | JEOL Database![JEOL Logo](/attributions/jeol_logo.png) |
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Description | marphenol D is found in Schisandra wilsoniana. It was first documented in 2013 (Yang, G, -Y., et al.). |
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Structure | [H]OC(=O)[C@]([H])([C@]([H])(O[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(O[H])=C1[H])C([H])(C([H])([H])O[H])C([H])([H])O[H] InChI=1S/C14H20O8/c1-21-10-4-7(3-9(17)13(10)22-2)12(18)11(14(19)20)8(5-15)6-16/h3-4,8,11-12,15-18H,5-6H2,1-2H3,(H,19,20)/t11-,12+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C14H20O8 |
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Average Mass | 316.3060 Da |
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Monoisotopic Mass | 316.11582 Da |
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IUPAC Name | (2S)-4-hydroxy-2-[(S)-hydroxy(3-hydroxy-4,5-dimethoxyphenyl)methyl]-3-(hydroxymethyl)butanoic acid |
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Traditional Name | (2S)-4-hydroxy-2-[(S)-hydroxy(3-hydroxy-4,5-dimethoxyphenyl)methyl]-3-(hydroxymethyl)butanoic acid |
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CAS Registry Number | Not Available |
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SMILES | [H]OC(=O)[C@]([H])([C@]([H])(O[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(O[H])=C1[H])C([H])(C([H])([H])O[H])C([H])([H])O[H] |
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InChI Identifier | InChI=1S/C14H20O8/c1-21-10-4-7(3-9(17)13(10)22-2)12(18)11(14(19)20)8(5-15)6-16/h3-4,8,11-12,15-18H,5-6H2,1-2H3,(H,19,20)/t11-,12+/m0/s1 |
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InChI Key | SZHZWKIXPSFFMZ-NWDGAFQWSA-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, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, C5D5N, 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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Schisandra wilsoniana | JEOL database | - Yang, G, -Y., et al, J. Nat. Prod. 76, 250 (2013)
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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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