Record Information |
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Version | 1.0 |
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Created at | 2021-06-21 00:25:50 UTC |
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Updated at | 2021-06-30 00:18:14 UTC |
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NP-MRD ID | NP0042874 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | angumycinone A |
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Provided By | JEOL Database![JEOL Logo](/attributions/jeol_logo.png) |
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Description | angumycinone A is found in Streptomyces sp. KMC004. It was first documented in 2014 (Park, H. B., et al.). Based on a literature review very few articles have been published on (1R,2R,7R,10S)-7,13-dihydroxy-5-methyl-19-oxapentacyclo[8.8.1.0¹,¹⁰.0²,⁷.0¹²,¹⁷]Nonadeca-4,12(17),13,15-tetraene-3,11,18-trione. |
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Structure | [H]OC1=C2C(=C([H])C([H])=C1[H])C(=O)[C@]13O[C@@]1(C2=O)C([H])([H])C([H])([H])[C@@]1(O[H])C([H])([H])C(=C([H])C(=O)[C@@]31[H])C([H])([H])[H] InChI=1S/C19H16O6/c1-9-7-12(21)14-17(24,8-9)5-6-18-16(23)13-10(3-2-4-11(13)20)15(22)19(14,18)25-18/h2-4,7,14,20,24H,5-6,8H2,1H3/t14-,17-,18-,19+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H16O6 |
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Average Mass | 340.3310 Da |
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Monoisotopic Mass | 340.09469 Da |
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IUPAC Name | (1R,2R,7R,10S)-7,13-dihydroxy-5-methyl-19-oxapentacyclo[8.8.1.0^{1,10}.0^{2,7}.0^{12,17}]nonadeca-4,12(17),13,15-tetraene-3,11,18-trione |
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Traditional Name | (1R,2R,7R,10S)-7,13-dihydroxy-5-methyl-19-oxapentacyclo[8.8.1.0^{1,10}.0^{2,7}.0^{12,17}]nonadeca-4,12(17),13,15-tetraene-3,11,18-trione |
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CAS Registry Number | Not Available |
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SMILES | [H]OC1=C2C(=C([H])C([H])=C1[H])C(=O)[C@]13O[C@@]1(C2=O)C([H])([H])C([H])([H])[C@@]1(O[H])C([H])([H])C(=C([H])C(=O)[C@@]31[H])C([H])([H])[H] |
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InChI Identifier | InChI=1S/C19H16O6/c1-9-7-12(21)14-17(24,8-9)5-6-18-16(23)13-10(3-2-4-11(13)20)15(22)19(14,18)25-18/h2-4,7,14,20,24H,5-6,8H2,1H3/t14-,17-,18-,19+/m1/s1 |
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InChI Key | NEXBQCMCKLMADP-AXUOBQJMSA-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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Streptomyces sp. KMC004 | JEOL database | - Park, H. B., et al. J. Tetrahedron Lett. 55, 63 (2014)
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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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