Record Information |
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Version | 1.0 |
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Created at | 2021-06-19 17:37:51 UTC |
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Updated at | 2021-06-29 23:50:33 UTC |
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NP-MRD ID | NP0025530 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Strychnistenolide (beta-epimer) |
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Provided By | JEOL Database |
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Description | Strychnistenolide (beta-epimer) is found in Lindera strychnifolia. It was first documented in 2001 (Kouno, I., et al.). |
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Structure | [H]O[C@@]1([H])C2=C(C(=O)O[C@@]2(O[H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]3([H])C([H])([H])[C@]3([H])C(=C([H])[H])[C@@]12[H])C([H])([H])[H] InChI=1S/C15H18O4/c1-6-8-4-9(8)14(3)5-15(18)11(12(16)10(6)14)7(2)13(17)19-15/h8-10,12,16,18H,1,4-5H2,2-3H3/t8-,9-,10+,12-,14+,15+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H18O4 |
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Average Mass | 262.3050 Da |
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Monoisotopic Mass | 262.12051 Da |
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IUPAC Name | (1R,2R,7S,9S,10R,12S)-2,7-dihydroxy-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.0^{3,7}.0^{10,12}]tridec-3-en-5-one |
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Traditional Name | (1R,2R,7S,9S,10R,12S)-2,7-dihydroxy-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.0^{3,7}.0^{10,12}]tridec-3-en-5-one |
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CAS Registry Number | Not Available |
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SMILES | [H]O[C@@]1([H])C2=C(C(=O)O[C@@]2(O[H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]3([H])C([H])([H])[C@]3([H])C(=C([H])[H])[C@@]12[H])C([H])([H])[H] |
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InChI Identifier | InChI=1S/C15H18O4/c1-6-8-4-9(8)14(3)5-15(18)11(12(16)10(6)14)7(2)13(17)19-15/h8-10,12,16,18H,1,4-5H2,2-3H3/t8-,9-,10+,12-,14+,15+/m1/s1 |
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InChI Key | CMOIXESTWPHDCC-DOXXECKESA-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, 500 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, C5D5N, 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 | Species Name | Source | Reference |
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Lindera aggregata | JEOL database | - Kouno, I., et al, J. Nat. Prod. 64, 286 (2001)
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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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