Record Information |
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Version | 2.0 |
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Created at | 2021-01-05 22:40:16 UTC |
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Updated at | 2021-07-15 17:13:57 UTC |
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NP-MRD ID | NP0013246 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Ganocin A |
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Provided By | NPAtlas |
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Description | Ganocin A is found in Ganoderma. It was first documented in 2014 (PMID: 25192355). Based on a literature review very few articles have been published on (1R,9R,12S,13S)-4-hydroxy-9,19,19-trimethyl-8,18-dioxapentacyclo[10.5.2.0¹,¹³.0²,⁷.0⁹,¹³]Nonadeca-2(7),3,5,16-tetraene-16-carbaldehyde. |
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Structure | [H]OC1=C([H])C([H])=C2O[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]4([H])C(O[C@]5(C([H])=C(C([H])=O)C([H])([H])C([H])([H])[C@@]345)C2=C1[H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C21H24O4/c1-18(2)17-7-8-19(3)20(17)9-6-13(12-22)11-21(20,25-18)15-10-14(23)4-5-16(15)24-19/h4-5,10-12,17,23H,6-9H2,1-3H3/t17-,19-,20+,21-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H24O4 |
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Average Mass | 340.4190 Da |
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Monoisotopic Mass | 340.16746 Da |
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IUPAC Name | (1R,9R,12S,13S)-4-hydroxy-9,19,19-trimethyl-8,18-dioxapentacyclo[10.5.2.0^{1,13}.0^{2,7}.0^{9,13}]nonadeca-2(7),3,5,16-tetraene-16-carbaldehyde |
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Traditional Name | (1R,9R,12S,13S)-4-hydroxy-9,19,19-trimethyl-8,18-dioxapentacyclo[10.5.2.0^{1,13}.0^{2,7}.0^{9,13}]nonadeca-2(7),3,5,16-tetraene-16-carbaldehyde |
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CAS Registry Number | Not Available |
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SMILES | CC1(C)O[C@@]23C=C(CC[C@@]22[C@@H]1CC[C@@]2(C)OC1=C3C=C(O)C=C1)C=O |
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InChI Identifier | InChI=1S/C21H24O4/c1-18(2)17-7-8-19(3)20(17)9-6-13(12-22)11-21(20,25-18)15-10-14(23)4-5-16(15)24-19/h4-5,10-12,17,23H,6-9H2,1-3H3/t17-,19-,20+,21-/m1/s1 |
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InChI Key | PXYOBXAVEVGYNT-AYWYSENESA-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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