Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 20:01:15 UTC |
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Updated at | 2022-09-07 20:01:15 UTC |
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NP-MRD ID | NP0255498 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (7r,8r,10s)-8-ethyl-1,6,7,8,10,11-hexahydroxy-9,10-dihydro-7h-tetracene-5,12-dione |
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Description | Beta-Rhodomycinone belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4. (7r,8r,10s)-8-ethyl-1,6,7,8,10,11-hexahydroxy-9,10-dihydro-7h-tetracene-5,12-dione is found in Streptomyces galilaeus and Streptomyces purpurascens. Based on a literature review very few articles have been published on beta-Rhodomycinone. |
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Structure | CC[C@@]1(O)C[C@H](O)C2=C(O)C3=C(C(O)=C2[C@H]1O)C(=O)C1=CC=CC(O)=C1C3=O InChI=1S/C20H18O8/c1-2-20(28)6-9(22)11-14(19(20)27)18(26)12-13(17(11)25)16(24)10-7(15(12)23)4-3-5-8(10)21/h3-5,9,19,21-22,25-28H,2,6H2,1H3/t9-,19+,20+/m0/s1 |
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Synonyms | Value | Source |
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b-Rhodomycinone | Generator | Β-rhodomycinone | Generator |
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Chemical Formula | C20H18O8 |
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Average Mass | 386.3560 Da |
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Monoisotopic Mass | 386.10017 Da |
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IUPAC Name | (7R,8R,10S)-8-ethyl-1,6,7,8,10,11-hexahydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione |
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Traditional Name | (7R,8R,10S)-8-ethyl-1,6,7,8,10,11-hexahydroxy-9,10-dihydro-7H-tetracene-5,12-dione |
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CAS Registry Number | Not Available |
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SMILES | CC[C@@]1(O)C[C@H](O)C2=C(O)C3=C(C(O)=C2[C@H]1O)C(=O)C1=CC=CC(O)=C1C3=O |
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InChI Identifier | InChI=1S/C20H18O8/c1-2-20(28)6-9(22)11-14(19(20)27)18(26)12-13(17(11)25)16(24)10-7(15(12)23)4-3-5-8(10)21/h3-5,9,19,21-22,25-28H,2,6H2,1H3/t9-,19+,20+/m0/s1 |
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InChI Key | XGUMQVUWZOLAQN-RNFJLKLCSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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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Description | Belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Naphthacenes |
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Sub Class | Tetracenequinones |
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Direct Parent | Tetracenequinones |
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Alternative Parents | |
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Substituents | - Tetracenequinone
- 9,10-anthraquinone
- 1,4-anthraquinone
- Anthracene
- Tetralin
- Aryl ketone
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Tertiary alcohol
- Vinylogous acid
- Secondary alcohol
- Ketone
- Polyol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Organic oxygen compound
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic compounds |
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External Descriptors | Not Available |
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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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