Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 00:32:22 UTC |
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Updated at | 2021-07-15 16:45:55 UTC |
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NP-MRD ID | NP0003252 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Curtisian B |
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Provided By | NPAtlas |
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Description | Curtisian B is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Curtisian B is found in Paxillus curtisii and Pseudomerulius curtisii. It was first documented in 2000 (PMID: 10805570). Based on a literature review very few articles have been published on curtisian B (PMID: 25088970). |
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Structure | [H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(OC(=O)C([H])([H])[H])C(OC(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C(C2=C([H])C([H])=C(O[H])C([H])=C2[H])C(OC(=O)C([H])([H])[H])=C1OC(=O)C([H])([H])[H] InChI=1S/C33H28O10/c1-19(34)40-30-28(23-10-14-25(37)15-11-23)32(42-21(3)36)33(43-27(39)18-9-22-7-5-4-6-8-22)29(31(30)41-20(2)35)24-12-16-26(38)17-13-24/h4-8,10-17,37-38H,9,18H2,1-3H3 |
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Synonyms | Value | Source |
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Curtisian-b | MeSH |
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Chemical Formula | C33H28O10 |
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Average Mass | 584.5770 Da |
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Monoisotopic Mass | 584.16825 Da |
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IUPAC Name | 2,5,6-tris(acetyloxy)-4'-hydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl 3-phenylpropanoate |
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Traditional Name | 2,5,6-tris(acetyloxy)-4'-hydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl 3-phenylpropanoate |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)OC1=C(OC(=O)CCC2=CC=CC=C2)C(C2=CC=C(O)C=C2)=C(OC(C)=O)C(OC(C)=O)=C1C1=CC=C(O)C=C1 |
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InChI Identifier | InChI=1S/C33H28O10/c1-19(34)40-30-28(23-10-14-25(37)15-11-23)32(42-21(3)36)33(43-27(39)18-9-22-7-5-4-6-8-22)29(31(30)41-20(2)35)24-12-16-26(38)17-13-24/h4-8,10-17,37-38H,9,18H2,1-3H3 |
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InChI Key | FVIXJWLGXKDNER-UHFFFAOYSA-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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Description | This compound belongs to the class of organic compounds known as p-terphenyls. These are terphenyls with a structure containing the 1,4-diphenylbenzene skeleton. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Terphenyls |
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Direct Parent | P-terphenyls |
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Alternative Parents | |
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Substituents | - Para-terphenyl
- Tetracarboxylic acid or derivatives
- Biphenyl
- Phenol ester
- Phenoxy compound
- 1-hydroxy-2-unsubstituted benzenoid
- Fatty acid ester
- Phenol
- Fatty acyl
- Carboxylic acid ester
- Carboxylic acid derivative
- Organooxygen compound
- Organic oxide
- Carbonyl group
- Organic oxygen compound
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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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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