Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 03:06:15 UTC |
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Updated at | 2021-07-15 16:53:37 UTC |
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NP-MRD ID | NP0006023 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Aurovertin E |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | 6-(6-{7-Ethyl-4,8-dihydroxy-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]Octan-3-yl}hexa-1,3,5-trien-1-yl)-4-methoxy-5-methyl-2H-pyran-2-one belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Aurovertin E is found in Albatrellus confluens. It was first documented in 2005 (PMID: 16156519). Based on a literature review very few articles have been published on 6-(6-{7-ethyl-4,8-dihydroxy-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]Octan-3-yl}hexa-1,3,5-trien-1-yl)-4-methoxy-5-methyl-2H-pyran-2-one. |
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Structure | [H]O[C@]1([H])[C@@]2(O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])C3=C(C(OC([H])([H])[H])=C([H])C(=O)O3)C([H])([H])[H])[C@@]([H])(O[H])[C@]1(O[C@]2([H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C23H30O7/c1-6-18-22(3)21(26)23(4,30-18)20(25)16(29-22)12-10-8-7-9-11-15-14(2)17(27-5)13-19(24)28-15/h7-13,16,18,20-21,25-26H,6H2,1-5H3/b8-7+,11-9-,12-10+/t16-,18-,20-,21-,22-,23-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C23H30O7 |
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Average Mass | 418.4860 Da |
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Monoisotopic Mass | 418.19915 Da |
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IUPAC Name | 6-[(1Z,3E,5E)-6-[(1S,3R,4R,5R,7R,8S)-7-ethyl-4,8-dihydroxy-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methyl-2H-pyran-2-one |
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Traditional Name | 6-[(1Z,3E,5E)-6-[(1S,3R,4R,5R,7R,8S)-7-ethyl-4,8-dihydroxy-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one |
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CAS Registry Number | Not Available |
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SMILES | CCC1OC2(C)C(O)C1(C)OC(C=CC=CC=CC1=C(C)C(OC)=CC(=O)O1)C2O |
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InChI Identifier | InChI=1S/C23H30O7/c1-6-18-22(3)21(26)23(4,30-18)20(25)16(29-22)12-10-8-7-9-11-15-14(2)17(27-5)13-19(24)28-15/h7-13,16,18,20-21,25-26H,6H2,1-5H3 |
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InChI Key | ZPRKRBDMVCYLBR-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 | Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | C-glycosyl compounds |
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Alternative Parents | |
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Substituents | - C-glycosyl compound
- 1,4-dioxepane
- Alkyl aryl ether
- Dioxepane
- Pyranone
- Monosaccharide
- Oxane
- Pyran
- Heteroaromatic compound
- Vinylogous ester
- Oxolane
- Lactone
- Secondary alcohol
- Organoheterocyclic compound
- Ether
- Oxacycle
- Dialkyl ether
- Organic oxide
- Alcohol
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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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