Record Information |
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Version | 1.0 |
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Created at | 2022-09-08 02:49:20 UTC |
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Updated at | 2022-09-08 02:49:20 UTC |
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NP-MRD ID | NP0260603 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (4r,4as,7r,7as,8ar)-8a-hydroxy-4,4a,7,7a-tetramethyl-4h,6h,7h,8h-indeno[5,6-b]furan-2,5-dione |
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Description | 6Alpha-Hydroxy-3-oxo-pingis-5(10)-ene-11,6-olide belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. (4r,4as,7r,7as,8ar)-8a-hydroxy-4,4a,7,7a-tetramethyl-4h,6h,7h,8h-indeno[5,6-b]furan-2,5-dione is found in Aneura pinguis. Based on a literature review very few articles have been published on 6alpha-Hydroxy-3-oxo-pingis-5(10)-ene-11,6-olide. |
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Structure | C[C@@H]1CC(=O)[C@@]2(C)[C@H](C)C3=CC(=O)O[C@]3(O)C[C@@]12C InChI=1S/C15H20O4/c1-8-5-11(16)14(4)9(2)10-6-12(17)19-15(10,18)7-13(8,14)3/h6,8-9,18H,5,7H2,1-4H3/t8-,9-,13+,14-,15-/m1/s1 |
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Synonyms | Value | Source |
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6a-Hydroxy-3-oxo-pingis-5(10)-ene-11,6-olide | Generator | 6Α-hydroxy-3-oxo-pingis-5(10)-ene-11,6-olide | Generator |
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Chemical Formula | C15H20O4 |
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Average Mass | 264.3210 Da |
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Monoisotopic Mass | 264.13616 Da |
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IUPAC Name | (4R,4aS,7R,7aS,8aR)-8a-hydroxy-4,4a,7,7a-tetramethyl-2H,4H,4aH,5H,6H,7H,7aH,8H,8aH-indeno[5,6-b]furan-2,5-dione |
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Traditional Name | (4R,4aS,7R,7aS,8aR)-8a-hydroxy-4,4a,7,7a-tetramethyl-4H,6H,7H,8H-indeno[5,6-b]furan-2,5-dione |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1CC(=O)[C@@]2(C)[C@H](C)C3=CC(=O)O[C@]3(O)C[C@@]12C |
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InChI Identifier | InChI=1S/C15H20O4/c1-8-5-11(16)14(4)9(2)10-6-12(17)19-15(10,18)7-13(8,14)3/h6,8-9,18H,5,7H2,1-4H3/t8-,9-,13+,14-,15-/m1/s1 |
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InChI Key | SOKIRSKBDFGHPD-DPQXWDTRSA-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 terpene lactones. These are prenol lipids containing a lactone ring. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Terpene lactones |
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Direct Parent | Terpene lactones |
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Alternative Parents | |
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Substituents | - Terpene lactone
- Sesquiterpenoid
- Pinguisane sesquiterpenoid
- 2-furanone
- Cyclic alcohol
- Dihydrofuran
- Enoate ester
- Alpha,beta-unsaturated carboxylic ester
- Lactone
- Ketone
- Hemiacetal
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Oxacycle
- Carboxylic acid derivative
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organic oxygen compound
- Carbonyl group
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic 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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