| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-12 15:07:39 UTC |
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| Updated at | 2022-09-12 15:07:39 UTC |
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| NP-MRD ID | NP0330096 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (2r,3s,4r,5r,6s)-6-{[(4ar,7r,7ar)-4a,7-dihydroxy-1h,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-2-(dihydroxymethyl)-3-methyloxane-2,3,4,5-tetrol |
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| Description | Beta-D-Glucopyranoside, (1S,4aR,5R,6S,7R,7aR)-1,4a,5,6,7,7a-hexahydro-4a,5,6,7-tetrahydroxy-4-methylcyclopenta(c)pyran-1-yl belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. (2r,3s,4r,5r,6s)-6-{[(4ar,7r,7ar)-4a,7-dihydroxy-1h,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-2-(dihydroxymethyl)-3-methyloxane-2,3,4,5-tetrol is found in Deutzia crenata. Based on a literature review very few articles have been published on beta-D-Glucopyranoside, (1S,4aR,5R,6S,7R,7aR)-1,4a,5,6,7,7a-hexahydro-4a,5,6,7-tetrahydroxy-4-methylcyclopenta(c)pyran-1-yl. |
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| Structure | C[C@]1(O)[C@H](O)[C@@H](O)[C@@H](OC2OC=C[C@]3(O)CC[C@@H](O)[C@@H]23)O[C@@]1(O)C(O)O InChI=1S/C15H24O11/c1-13(21)9(18)8(17)11(26-15(13,23)12(19)20)25-10-7-6(16)2-3-14(7,22)4-5-24-10/h4-12,16-23H,2-3H2,1H3/t6-,7+,8-,9-,10?,11+,13+,14-,15+/m1/s1 |
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| Synonyms | | Value | Source |
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| b-D-Glucopyranoside, (1S,4ar,5R,6S,7R,7ar)-1,4a,5,6,7,7a-hexahydro-4a,5,6,7-tetrahydroxy-4-methylcyclopenta(c)pyran-1-yl | Generator | | Β-D-glucopyranoside, (1S,4ar,5R,6S,7R,7ar)-1,4a,5,6,7,7a-hexahydro-4a,5,6,7-tetrahydroxy-4-methylcyclopenta(c)pyran-1-yl | Generator |
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| Chemical Formula | C15H24O11 |
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| Average Mass | 380.3460 Da |
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| Monoisotopic Mass | 380.13186 Da |
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| IUPAC Name | (2R,3S,4R,5R,6S)-6-{[(4aR,7R,7aR)-4a,7-dihydroxy-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-2-(dihydroxymethyl)-3-methyloxane-2,3,4,5-tetrol |
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| Traditional Name | (2R,3S,4R,5R,6S)-6-{[(4aR,7R,7aR)-4a,7-dihydroxy-1H,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-2-(dihydroxymethyl)-3-methyloxane-2,3,4,5-tetrol |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@]1(O)[C@H](O)[C@@H](O)[C@@H](OC2OC=C[C@]3(O)CC[C@@H](O)[C@@H]23)O[C@@]1(O)C(O)O |
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| InChI Identifier | InChI=1S/C15H24O11/c1-13(21)9(18)8(17)11(26-15(13,23)12(19)20)25-10-7-6(16)2-3-14(7,22)4-5-24-10/h4-12,16-23H,2-3H2,1H3/t6-,7+,8-,9-,10?,11+,13+,14-,15+/m1/s1 |
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| InChI Key | CSGKJAYLLWZFIO-GAOWBRRBSA-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 o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. |
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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 | O-glycosyl compounds |
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| Alternative Parents | |
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| Substituents | - Hexose monosaccharide
- O-glycosyl compound
- Oxane
- Monosaccharide
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Hemiacetal
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Carbonyl hydrate
- Acetal
- Hydrocarbon derivative
- 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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