Record Information |
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Version | 1.0 |
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Created at | 2022-04-29 01:38:39 UTC |
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Updated at | 2022-04-29 01:38:39 UTC |
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NP-MRD ID | NP0080637 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Goniolactone F |
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Description | (2R,3R,3aR,6aR)-2-[(S)-{[(2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}(phenyl)methyl]-5-oxo-hexahydrofuro[3,2-b]furan-3-yl acetate belongs to the class of organic compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3. (+)-Goniolactone F is found in Goniothalamus cheliensis. Based on a literature review very few articles have been published on (2R,3R,3aR,6aR)-2-[(S)-{[(2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}(phenyl)methyl]-5-oxo-hexahydrofuro[3,2-b]furan-3-yl acetate. |
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Structure | CC(=O)O[C@@H]1[C@H](O[C@@H]2CC(=O)O[C@@H]12)[C@@H](OC1=CC2=C(C(=O)C[C@H](O2)C2=CC=CC=C2)C(O)=C1)C1=CC=CC=C1 InChI=1S/C30H26O9/c1-16(31)35-30-28-24(15-25(34)39-28)38-29(30)27(18-10-6-3-7-11-18)36-19-12-20(32)26-21(33)14-22(37-23(26)13-19)17-8-4-2-5-9-17/h2-13,22,24,27-30,32H,14-15H2,1H3/t22-,24+,27-,28+,29+,30-/m0/s1 |
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Synonyms | Value | Source |
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(2R,3R,3AR,6ar)-2-[(S)-{[(2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}(phenyl)methyl]-5-oxo-hexahydrofuro[3,2-b]furan-3-yl acetic acid | Generator |
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Chemical Formula | C30H26O9 |
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Average Mass | 530.5290 Da |
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Monoisotopic Mass | 530.15768 Da |
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IUPAC Name | (2R,3R,3aR,6aR)-2-[(S)-{[(2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}(phenyl)methyl]-5-oxo-hexahydrofuro[3,2-b]furan-3-yl acetate |
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Traditional Name | (2R,3R,3aR,6aR)-2-[(S)-{[(2S)-5-hydroxy-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-7-yl]oxy}(phenyl)methyl]-5-oxo-tetrahydro-2H-furo[3,2-b]furan-3-yl acetate |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)O[C@@H]1[C@H](O[C@@H]2CC(=O)O[C@@H]12)[C@@H](OC1=CC2=C(C(=O)C[C@H](O2)C2=CC=CC=C2)C(O)=C1)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C30H26O9/c1-16(31)35-30-28-24(15-25(34)39-28)38-29(30)27(18-10-6-3-7-11-18)36-19-12-20(32)26-21(33)14-22(37-23(26)13-19)17-8-4-2-5-9-17/h2-13,22,24,27-30,32H,14-15H2,1H3/t22-,24+,27-,28+,29+,30-/m0/s1 |
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InChI Key | JVHLWFBWUANMQY-FXJHLHCRSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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 flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Flavonoids |
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Sub Class | Flavans |
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Direct Parent | Flavanones |
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Alternative Parents | |
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Substituents | - Hydroxyflavonoid
- Flavanone
- 5-hydroxyflavonoid
- Chromone
- 1-benzopyran
- Benzopyran
- Chromane
- Aryl alkyl ketone
- Aryl ketone
- Furofuran
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Benzenoid
- Monosaccharide
- Gamma butyrolactone
- Dicarboxylic acid or derivatives
- Monocyclic benzene moiety
- Vinylogous acid
- Tetrahydrofuran
- Lactone
- Ketone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic 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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