Record Information |
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Version | 1.0 |
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Created at | 2022-09-09 22:00:41 UTC |
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Updated at | 2022-09-09 22:00:41 UTC |
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NP-MRD ID | NP0291057 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (3r)-3,12-dihydroxy-8-methoxy-3,12-dimethyl-6-{[(3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,4-dihydrotetraphene-1,7-dione |
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Description | (3R)-3,12-dihydroxy-8-methoxy-3,12-dimethyl-6-{[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1,2,3,4,7,12-hexahydrotetraphene-1,7-dione belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Based on a literature review very few articles have been published on (3R)-3,12-dihydroxy-8-methoxy-3,12-dimethyl-6-{[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1,2,3,4,7,12-hexahydrotetraphene-1,7-dione. |
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Structure | COC1=CC=CC2=C1C(=O)C1=C(OC3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)C=C3C[C@@](C)(O)CC(=O)C3=C1C2(C)O InChI=1S/C27H30O10/c1-11-21(29)23(31)24(32)25(36-11)37-16-8-12-9-26(2,33)10-14(28)17(12)20-19(16)22(30)18-13(27(20,3)34)6-5-7-15(18)35-4/h5-8,11,21,23-25,29,31-34H,9-10H2,1-4H3/t11-,21-,23+,24+,25?,26-,27?/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C27H30O10 |
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Average Mass | 514.5270 Da |
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Monoisotopic Mass | 514.18390 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC=CC2=C1C(=O)C1=C(OC3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)C=C3C[C@@](C)(O)CC(=O)C3=C1C2(C)O |
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InChI Identifier | InChI=1S/C27H30O10/c1-11-21(29)23(31)24(32)25(36-11)37-16-8-12-9-26(2,33)10-14(28)17(12)20-19(16)22(30)18-13(27(20,3)34)6-5-7-15(18)35-4/h5-8,11,21,23-25,29,31-34H,9-10H2,1-4H3/t11-,21-,23+,24+,25?,26-,27?/m1/s1 |
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InChI Key | ZOIFOOKAJHQJQH-YNJMMLHXSA-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 | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Phenolic glycosides |
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Alternative Parents | |
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Substituents | - Phenolic glycoside
- Phenanthrol
- Phenanthrene
- Anthracene
- Hexose monosaccharide
- O-glycosyl compound
- Tetralin
- Aryl alkyl ketone
- Aryl ketone
- Anisole
- Alkyl aryl ether
- Benzenoid
- Oxane
- Monosaccharide
- Tertiary alcohol
- Secondary alcohol
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Ether
- Acetal
- Organic oxide
- Hydrocarbon derivative
- Alcohol
- 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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