| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-05 20:41:58 UTC |
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| Updated at | 2022-09-05 20:41:58 UTC |
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| NP-MRD ID | NP0219636 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (4r,5r,6r,9r,10r)-4,9,10-trihydroxy-3-methylidene-6-[(1e,3e)-penta-1,3-dien-1-yl]-2-oxaspiro[4.5]dec-7-en-1-one |
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| Description | Fusaspirol D belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. (4r,5r,6r,9r,10r)-4,9,10-trihydroxy-3-methylidene-6-[(1e,3e)-penta-1,3-dien-1-yl]-2-oxaspiro[4.5]dec-7-en-1-one is found in Fusarium solani. Based on a literature review very few articles have been published on Fusaspirol D. |
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| Structure | C\C=C\C=C\[C@@H]1C=C[C@@H](O)[C@H](O)[C@@]11[C@@H](O)C(=C)OC1=O InChI=1S/C15H18O5/c1-3-4-5-6-10-7-8-11(16)13(18)15(10)12(17)9(2)20-14(15)19/h3-8,10-13,16-18H,2H2,1H3/b4-3+,6-5+/t10-,11-,12+,13+,15+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C15H18O5 |
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| Average Mass | 278.3040 Da |
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| Monoisotopic Mass | 278.11542 Da |
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| IUPAC Name | (4R,5R,6R,9R,10R)-4,9,10-trihydroxy-3-methylidene-6-[(1E,3E)-penta-1,3-dien-1-yl]-2-oxaspiro[4.5]dec-7-en-1-one |
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| Traditional Name | (4R,5R,6R,9R,10R)-4,9,10-trihydroxy-3-methylidene-6-[(1E,3E)-penta-1,3-dien-1-yl]-2-oxaspiro[4.5]dec-7-en-1-one |
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| CAS Registry Number | Not Available |
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| SMILES | C\C=C\C=C\[C@@H]1C=C[C@@H](O)[C@H](O)[C@@]11[C@@H](O)C(=C)OC1=O |
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| InChI Identifier | InChI=1S/C15H18O5/c1-3-4-5-6-10-7-8-11(16)13(18)15(10)12(17)9(2)20-14(15)19/h3-8,10-13,16-18H,2H2,1H3/b4-3+,6-5+/t10-,11-,12+,13+,15+/m1/s1 |
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| InChI Key | JGBMHPUTTBOQCU-IHGGTNIXSA-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 tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Tetrahydrofurans |
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| Sub Class | Not Available |
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| Direct Parent | Tetrahydrofurans |
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| Alternative Parents | |
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| Substituents | - Tetrahydrofuran
- Enol ester
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Polyol
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- 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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