Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 19:59:42 UTC |
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Updated at | 2021-07-15 17:06:15 UTC |
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NP-MRD ID | NP0010493 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-(3S,6S,7R,8S)-periconone A |
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Provided By | NPAtlas |
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Description | (+)-(3S,6S,7R,8S)-periconone A is found in Periconia. It was first documented in 2002 (PMID: 28267306). Based on a literature review very few articles have been published on 5,8,9-trihydroxy-7-(3-methylbut-3-en-1-yl)-1,3,4,5,6,7,8,9-octahydro-2-benzoxepin-6-one (PMID: 22130377) (PMID: 26389440) (PMID: 26389428) (PMID: 26389376). |
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Structure | [H]O[C@]1([H])C2=C(C(=O)[C@@]([H])(C([H])([H])C([H])([H])C(=C([H])[H])C([H])([H])[H])[C@@]1([H])O[H])[C@]([H])(O[H])C([H])([H])C([H])([H])OC2([H])[H] InChI=1S/C15H22O5/c1-8(2)3-4-9-13(17)12-10(15(19)14(9)18)7-20-6-5-11(12)16/h9,11,14-16,18-19H,1,3-7H2,2H3/t9-,11-,14-,15-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H22O5 |
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Average Mass | 282.3360 Da |
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Monoisotopic Mass | 282.14672 Da |
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IUPAC Name | (5R,7S,8R,9R)-5,8,9-trihydroxy-7-(3-methylbut-3-en-1-yl)-1,3,4,5,6,7,8,9-octahydro-2-benzoxepin-6-one |
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Traditional Name | (5R,7S,8R,9R)-5,8,9-trihydroxy-7-(3-methylbut-3-en-1-yl)-3,4,5,7,8,9-hexahydro-1H-2-benzoxepin-6-one |
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CAS Registry Number | Not Available |
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SMILES | CC(=C)CCC1C(O)C(O)C2=C(C(O)CCOC2)C1=O |
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InChI Identifier | InChI=1S/C15H22O5/c1-8(2)3-4-9-13(17)12-10(15(19)14(9)18)7-20-6-5-11(12)16/h9,11,14-16,18-19H,1,3-7H2,2H3 |
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InChI Key | CDEROYTUDZRONJ-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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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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