Record Information |
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Version | 1.0 |
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Created at | 2021-06-21 00:25:14 UTC |
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Updated at | 2021-06-30 00:18:12 UTC |
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NP-MRD ID | NP0042860 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | wuweizidilactone P |
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Provided By | JEOL Database![JEOL Logo](/attributions/jeol_logo.png) |
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Description | Wuweizidilactone P belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. wuweizidilactone P is found in Schisandra chinensis. It was first documented in 2017 (PMID: 29125562). Based on a literature review very few articles have been published on Wuweizidilactone P (PMID: 28219678). |
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Structure | [H]O[C@]1([H])C([H])([H])[C@@]2([H])C(O[C@]3([H])C([H])([H])C(=O)O[C@]23C([H])([H])[C@@]2(O[H])C([H])([H])C(=O)[C@]34O[C@]5(OC(=O)C(=C5[H])C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]3([H])O[C@]43[C@]12[H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C28H34O10/c1-12-8-25(9-13(2)22(32)37-25)38-27-14(12)5-19-28(27,35-19)21-15(29)6-16-23(3,4)34-18-7-20(31)36-26(16,18)11-24(21,33)10-17(27)30/h9,12,14-16,18-19,21,29,33H,5-8,10-11H2,1-4H3/t12-,14-,15-,16+,18-,19+,21-,24+,25-,26-,27-,28-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C28H34O10 |
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Average Mass | 530.5700 Da |
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Monoisotopic Mass | 530.21520 Da |
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IUPAC Name | (1'R,2S,2'S,4'S,6'R,7'R,11'S,14'R,16'R,20'R,23'S,25'R)-14',25'-dihydroxy-4,7',22',22'-tetramethyl-5H-3',10',17',21'-tetraoxaspiro[furan-2,9'-heptacyclo[12.11.0.0^{2,4}.0^{2,11}.0^{6,11}.0^{16,20}.0^{16,23}]pentacosane]-5,12',18'-trione |
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Traditional Name | (1'R,2S,2'S,4'S,6'R,7'R,11'S,14'R,16'R,20'R,23'S,25'R)-14',25'-dihydroxy-4,7',22',22'-tetramethyl-3',10',17',21'-tetraoxaspiro[furan-2,9'-heptacyclo[12.11.0.0^{2,4}.0^{2,11}.0^{6,11}.0^{16,20}.0^{16,23}]pentacosane]-5,12',18'-trione |
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CAS Registry Number | Not Available |
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SMILES | [H]O[C@]1([H])C([H])([H])[C@@]2([H])C(O[C@]3([H])C([H])([H])C(=O)O[C@]23C([H])([H])[C@@]2(O[H])C([H])([H])C(=O)[C@]34O[C@]5(OC(=O)C(=C5[H])C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]3([H])O[C@]43[C@]12[H])(C([H])([H])[H])C([H])([H])[H] |
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InChI Identifier | InChI=1S/C28H34O10/c1-12-8-25(9-13(2)22(32)37-25)38-27-14(12)5-19-28(27,35-19)21-15(29)6-16-23(3,4)34-18-7-20(31)36-26(16,18)11-24(21,33)10-17(27)30/h9,12,14-16,18-19,21,29,33H,5-8,10-11H2,1-4H3/t12-,14-,15-,16+,18-,19+,21-,24+,25-,26-,27-,28-/m1/s1 |
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InChI Key | SZVZGEKLDKWDHV-FASHTHSVSA-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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Schisandra chinensis | JEOL database | - Shi. Y.-M., et al. J. Tetrahedron 70, 859 (2014)
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Furofurans |
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Sub Class | Not Available |
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Direct Parent | Furofurans |
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Alternative Parents | |
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Substituents | - Furofuran
- Ketal
- 2-furanone
- Dicarboxylic acid or derivatives
- Gamma butyrolactone
- Oxane
- Cyclic alcohol
- Dihydrofuran
- Alpha,beta-unsaturated carboxylic ester
- Tertiary alcohol
- Tetrahydrofuran
- Enoate ester
- Lactone
- Ketone
- Secondary alcohol
- Carboxylic acid ester
- Carboxylic acid derivative
- Oxacycle
- Acetal
- Dialkyl ether
- Oxirane
- Ether
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Organic oxide
- Alcohol
- Organooxygen compound
- 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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