Record Information |
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Version | 1.0 |
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Created at | 2021-06-21 00:46:31 UTC |
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Updated at | 2021-06-30 00:18:58 UTC |
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NP-MRD ID | NP0043340 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 7-O-ethyl madolin W |
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Provided By | JEOL Database |
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Description | 7-O-ethyl madolin W is found in Aristolochia yunnanensis. It was first documented in 2013 (Cheng, Z. -B., et al.). |
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Structure | [H]C(=O)C1=C([H])/[C@@]2([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]([H])(OC([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])\C(=C([H])/C([H])([H])C\1([H])[H])C([H])([H])[H] InChI=1S/C17H26O2/c1-4-19-16-9-8-13(2)6-5-7-14(12-18)10-15-11-17(15,16)3/h6,10,12,15-16H,4-5,7-9,11H2,1-3H3/b13-6-,14-10+/t15-,16-,17-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C17H26O2 |
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Average Mass | 262.3930 Da |
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Monoisotopic Mass | 262.19328 Da |
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IUPAC Name | (1R,2E,6Z,10S,11S)-10-ethoxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde |
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Traditional Name | (1R,2E,6Z,10S,11S)-10-ethoxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde |
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CAS Registry Number | Not Available |
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SMILES | [H]C(=O)C1=C([H])/[C@@]2([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]([H])(OC([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])\C(=C([H])/C([H])([H])C\1([H])[H])C([H])([H])[H] |
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InChI Identifier | InChI=1S/C17H26O2/c1-4-19-16-9-8-13(2)6-5-7-14(12-18)10-15-11-17(15,16)3/h6,10,12,15-16H,4-5,7-9,11H2,1-3H3/b13-6-,14-10+/t15-,16-,17-/m0/s1 |
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InChI Key | BBHMZQWNAKKPBE-HDUPPWHBSA-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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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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