Record Information |
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Version | 1.0 |
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Created at | 2021-06-21 00:46:19 UTC |
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Updated at | 2021-06-30 00:18:57 UTC |
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NP-MRD ID | NP0043335 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | aristoyunnolin B |
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Provided By | JEOL Database![JEOL Logo](/attributions/jeol_logo.png) |
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Description | (1R,2R,4R,6R,7S)-7-hydroxy-6-methyl-2-(prop-1-en-2-yl)-5,12-dioxatricyclo[8.2.1.0⁴,⁶]Tridec-10(13)-en-11-one belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. aristoyunnolin B is found in Aristolochia yunnanensis. It was first documented in 2002 (PMID: 29437326). Based on a literature review a significant number of articles have been published on (1R,2R,4R,6R,7S)-7-hydroxy-6-methyl-2-(prop-1-en-2-yl)-5,12-dioxatricyclo[8.2.1.0⁴,⁶]Tridec-10(13)-en-11-one (PMID: 27466641) (PMID: 27253005) (PMID: 26389468) (PMID: 26389426). |
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Structure | [H]O[C@@]1([H])C([H])([H])C([H])([H])C2=C([H])[C@@]([H])(OC2=O)[C@@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])[C@@]2([H])O[C@]12C([H])([H])[H] InChI=1S/C15H20O4/c1-8(2)10-7-13-15(3,19-13)12(16)5-4-9-6-11(10)18-14(9)17/h6,10-13,16H,1,4-5,7H2,2-3H3/t10-,11-,12+,13-,15-/m1/s1 |
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Synonyms | Not Available |
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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 | (1R,2R,4R,6R,7S)-7-hydroxy-6-methyl-2-(prop-1-en-2-yl)-5,12-dioxatricyclo[8.2.1.0^{4,6}]tridec-10(13)-en-11-one |
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Traditional Name | (1R,2R,4R,6R,7S)-7-hydroxy-6-methyl-2-(prop-1-en-2-yl)-5,12-dioxatricyclo[8.2.1.0^{4,6}]tridec-10(13)-en-11-one |
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CAS Registry Number | Not Available |
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SMILES | [H]O[C@@]1([H])C([H])([H])C([H])([H])C2=C([H])[C@@]([H])(OC2=O)[C@@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])[C@@]2([H])O[C@]12C([H])([H])[H] |
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InChI Identifier | InChI=1S/C15H20O4/c1-8(2)10-7-13-15(3,19-13)12(16)5-4-9-6-11(10)18-14(9)17/h6,10-13,16H,1,4-5,7H2,2-3H3/t10-,11-,12+,13-,15-/m1/s1 |
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InChI Key | CPFLMSNETHBDAH-ZHZXCYKASA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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
- 2-furanone
- Dihydrofuran
- Enoate ester
- Alpha,beta-unsaturated carboxylic ester
- Carboxylic acid ester
- Lactone
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Ether
- Oxirane
- Dialkyl ether
- Carboxylic acid derivative
- Oxacycle
- Organoheterocyclic compound
- Organic oxygen compound
- Organooxygen compound
- Organic oxide
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- 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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