| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-05 23:44:38 UTC |
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| Updated at | 2022-09-05 23:44:38 UTC |
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| NP-MRD ID | NP0222019 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (2r,3r,4s,5s,6r)-2-{[(1r,2r,5r,8r,9r,10r)-1,10-dihydroxy-4,4,8-trimethyltricyclo[6.3.1.0²,⁵]dodecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
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| Description | (2R,3R,4S,5S,6R)-2-{[(1R,2R,5R,8R,9R,10R)-1,10-dihydroxy-4,4,8-trimethyltricyclo[6.3.1.0²,⁵]Dodecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 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,3r,4s,5s,6r)-2-{[(1r,2r,5r,8r,9r,10r)-1,10-dihydroxy-4,4,8-trimethyltricyclo[6.3.1.0²,⁵]dodecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol is found in Salacia chinensis. Based on a literature review very few articles have been published on (2R,3R,4S,5S,6R)-2-{[(1R,2R,5R,8R,9R,10R)-1,10-dihydroxy-4,4,8-trimethyltricyclo[6.3.1.0²,⁵]Dodecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol. |
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| Structure | CC1(C)C[C@@H]2[C@H]1CC[C@]1(C)C[C@@]2(O)C[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C21H36O8/c1-19(2)6-11-10(19)4-5-20(3)9-21(11,27)7-12(23)17(20)29-18-16(26)15(25)14(24)13(8-22)28-18/h10-18,22-27H,4-9H2,1-3H3/t10-,11-,12-,13-,14-,15+,16-,17+,18+,20-,21+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C21H36O8 |
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| Average Mass | 416.5110 Da |
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| Monoisotopic Mass | 416.24102 Da |
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| IUPAC Name | (2R,3R,4S,5S,6R)-2-{[(1R,2R,5R,8R,9R,10R)-1,10-dihydroxy-4,4,8-trimethyltricyclo[6.3.1.0^{2,5}]dodecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
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| Traditional Name | (2R,3R,4S,5S,6R)-2-{[(1R,2R,5R,8R,9R,10R)-1,10-dihydroxy-4,4,8-trimethyltricyclo[6.3.1.0^{2,5}]dodecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
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| CAS Registry Number | Not Available |
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| SMILES | CC1(C)C[C@@H]2[C@H]1CC[C@]1(C)C[C@@]2(O)C[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
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| InChI Identifier | InChI=1S/C21H36O8/c1-19(2)6-11-10(19)4-5-20(3)9-21(11,27)7-12(23)17(20)29-18-16(26)15(25)14(24)13(8-22)28-18/h10-18,22-27H,4-9H2,1-3H3/t10-,11-,12-,13-,14-,15+,16-,17+,18+,20-,21+/m1/s1 |
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| InChI Key | QWMTVQXNDDCJLI-XOHAXCQLSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | 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
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Acetal
- Hydrocarbon derivative
- Primary alcohol
- 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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