Record Information |
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Version | 2.0 |
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Created at | 2022-09-06 05:01:12 UTC |
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Updated at | 2022-09-06 05:01:12 UTC |
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NP-MRD ID | NP0226091 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (4r,5s,6s,7s,11s)-7-hydroxy-6-methyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-1(10)-en-2-one |
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Description | (4R,5S,6S,7S,11S)-7-hydroxy-6-methyl-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]Undec-1(10)-en-2-one 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. (4r,5s,6s,7s,11s)-7-hydroxy-6-methyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-1(10)-en-2-one is found in Gelsemium sempervirens. Based on a literature review very few articles have been published on (4R,5S,6S,7S,11S)-7-hydroxy-6-methyl-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]Undec-1(10)-en-2-one. |
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Structure | C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2OC(=O)C3=COC[C@@]1(O)[C@H]23 InChI=1S/C16H22O10/c1-5-12(26-15-11(20)10(19)9(18)7(2-17)24-15)13-8-6(14(21)25-13)3-23-4-16(5,8)22/h3,5,7-13,15,17-20,22H,2,4H2,1H3/t5-,7+,8-,9+,10-,11+,12-,13+,15-,16-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C16H22O10 |
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Average Mass | 374.3420 Da |
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Monoisotopic Mass | 374.12130 Da |
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IUPAC Name | (4R,5S,6S,7S,11S)-7-hydroxy-6-methyl-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0^{4,11}]undec-1(10)-en-2-one |
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Traditional Name | (4R,5S,6S,7S,11S)-7-hydroxy-6-methyl-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0^{4,11}]undec-1(10)-en-2-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2OC(=O)C3=COC[C@@]1(O)[C@H]23 |
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InChI Identifier | InChI=1S/C16H22O10/c1-5-12(26-15-11(20)10(19)9(18)7(2-17)24-15)13-8-6(14(21)25-13)3-23-4-16(5,8)22/h3,5,7-13,15,17-20,22H,2,4H2,1H3/t5-,7+,8-,9+,10-,11+,12-,13+,15-,16-/m0/s1 |
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InChI Key | AZDPGDNGMGSZEZ-MGFQIBOVSA-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
- Furopyran
- Gamma butyrolactone
- Monosaccharide
- Oxane
- Pyran
- Cyclic alcohol
- Furan
- Vinylogous ester
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Tertiary alcohol
- Tetrahydrofuran
- Lactone
- Secondary alcohol
- Carboxylic acid ester
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Oxacycle
- Polyol
- Carboxylic acid derivative
- Acetal
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Carbonyl group
- Primary 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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