Record Information |
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Version | 2.0 |
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Created at | 2021-01-05 22:40:22 UTC |
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Updated at | 2021-07-15 17:13:58 UTC |
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NP-MRD ID | NP0013249 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Ganocin D |
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Provided By | NPAtlas |
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Description | Ganocin D is found in Ganoderma. It was first documented in 2014 (PMID: 25192355). |
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Structure | [H]OC1=C([H])C([H])=C2O[C@@]3(C4=C(C([H])([H])C(=O)C([H])([H])[C@]4([H])C2=C1[H])C([H])([H])\C(=C([H])/C([H])([H])C3([H])[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C20H22O3/c1-12-4-3-7-20(2)19-13(8-12)9-15(22)11-17(19)16-10-14(21)5-6-18(16)23-20/h4-6,10,17,21H,3,7-9,11H2,1-2H3/b12-4-/t17-,20+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H22O3 |
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Average Mass | 310.3930 Da |
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Monoisotopic Mass | 310.15689 Da |
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IUPAC Name | (1R,7Z,11S)-16-hydroxy-7,11-dimethyl-12-oxatetracyclo[9.7.1.0^{5,19}.0^{13,18}]nonadeca-5(19),7,13,15,17-pentaen-3-one |
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Traditional Name | (1R,7Z,11S)-16-hydroxy-7,11-dimethyl-12-oxatetracyclo[9.7.1.0^{5,19}.0^{13,18}]nonadeca-5(19),7,13,15,17-pentaen-3-one |
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CAS Registry Number | Not Available |
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SMILES | C\C1=C\CC[C@]2(C)OC3=C(C=C(O)C=C3)[C@H]3CC(=O)CC(C1)=C23 |
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InChI Identifier | InChI=1S/C20H22O3/c1-12-4-3-7-20(2)19-13(8-12)9-15(22)11-17(19)16-10-14(21)5-6-18(16)23-20/h4-6,10,17,21H,3,7-9,11H2,1-2H3/b12-4-/t17-,20+/m1/s1 |
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InChI Key | ZGLOKAFKRCGNKC-PGAVCWDASA-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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