Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 18:53:11 UTC |
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Updated at | 2022-04-28 18:53:11 UTC |
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NP-MRD ID | NP0073659 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Perisaccharide C |
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Description | (2S,3R,4S,5S,6R)-5-hydroxy-2-{[(2R,3R,4S,6S)-6-{[(2S,3R,4S,6S)-6-{[(2R,3S,4S,6S)-4-hydroxy-6-{[(2R,3R,4R)-4-methoxy-2-methyl-6-oxooxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. (+)-Perisaccharide C is found in Periploca forrestii, Periploca forrestii Schltr. and Periploca sepium Bge. . Based on a literature review very few articles have been published on (2S,3R,4S,5S,6R)-5-hydroxy-2-{[(2R,3R,4S,6S)-6-{[(2S,3R,4S,6S)-6-{[(2R,3S,4S,6S)-4-hydroxy-6-{[(2R,3R,4R)-4-methoxy-2-methyl-6-oxooxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate. |
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Structure | CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]2[C@@H](C)OC(=O)C[C@H]2OC)O[C@@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](OC)[C@H]2OC(C)=O)[C@@H](C)O1 InChI=1S/C36H60O18/c1-15-29(40)34(44-10)35(50-20(6)37)36(49-15)54-33-19(5)48-28(14-24(33)43-9)53-32-18(4)47-27(13-23(32)42-8)51-30-16(2)46-26(11-21(30)38)52-31-17(3)45-25(39)12-22(31)41-7/h15-19,21-24,26-36,38,40H,11-14H2,1-10H3/t15-,16-,17-,18+,19-,21+,22-,23+,24+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+/m1/s1 |
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Synonyms | Value | Source |
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(2S,3R,4S,5S,6R)-5-Hydroxy-2-{[(2R,3R,4S,6S)-6-{[(2S,3R,4S,6S)-6-{[(2R,3S,4S,6S)-4-hydroxy-6-{[(2R,3R,4R)-4-methoxy-2-methyl-6-oxooxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetic acid | Generator |
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Chemical Formula | C36H60O18 |
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Average Mass | 780.8580 Da |
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Monoisotopic Mass | 780.37797 Da |
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IUPAC Name | (2S,3R,4S,5S,6R)-5-hydroxy-2-{[(2R,3R,4S,6S)-6-{[(2S,3R,4S,6S)-6-{[(2R,3S,4S,6S)-4-hydroxy-6-{[(2R,3R,4R)-4-methoxy-2-methyl-6-oxooxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate |
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Traditional Name | (2S,3R,4S,5S,6R)-5-hydroxy-2-{[(2R,3R,4S,6S)-6-{[(2S,3R,4S,6S)-6-{[(2R,3S,4S,6S)-4-hydroxy-6-{[(2R,3R,4R)-4-methoxy-2-methyl-6-oxooxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate |
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CAS Registry Number | Not Available |
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SMILES | CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]2[C@@H](C)OC(=O)C[C@H]2OC)O[C@@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](OC)[C@H]2OC(C)=O)[C@@H](C)O1 |
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InChI Identifier | InChI=1S/C36H60O18/c1-15-29(40)34(44-10)35(50-20(6)37)36(49-15)54-33-19(5)48-28(14-24(33)43-9)53-32-18(4)47-27(13-23(32)42-8)51-30-16(2)46-26(11-21(30)38)52-31-17(3)45-25(39)12-22(31)41-7/h15-19,21-24,26-36,38,40H,11-14H2,1-10H3/t15-,16-,17-,18+,19-,21+,22-,23+,24+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+/m1/s1 |
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InChI Key | QMGCPFHDOFHSKK-GABWPXQBSA-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 oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. |
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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 | Oligosaccharides |
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Alternative Parents | |
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Substituents | - Oligosaccharide
- O-glycosyl compound
- Glycosyl compound
- Delta_valerolactone
- Delta valerolactone
- Oxane
- Dicarboxylic acid or derivatives
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Carboxylic acid derivative
- Acetal
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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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