Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 02:33:58 UTC |
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Updated at | 2022-09-07 02:33:58 UTC |
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NP-MRD ID | NP0242276 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | ({6-[6-(acetyloxy)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,16-trimethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-9-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)methanimidic acid |
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Description | ({6-[6-(Acetyloxy)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,16-trimethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]Hexacosa-10,12,14(26),16,18,22-hexaen-9-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)methanimidic acid belongs to the class of organic compounds known as fatty acyl glycosides. Fatty acyl glycosides are compounds containing fatty acyl chain linked to a carbohydrate moiety through a glycosidic bond. Fatty acyl glycosides are composed of a glycosyl moiety (one or several units) linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. ({6-[6-(acetyloxy)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,16-trimethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18,22-hexaen-9-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)methanimidic acid is found in Actinosynnema pretiosum. Based on a literature review very few articles have been published on ({6-[6-(acetyloxy)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,16-trimethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]Hexacosa-10,12,14(26),16,18,22-hexaen-9-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)methanimidic acid. |
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Structure | COC1C=CC=C(C)CC2=CC(N(C3OC(CO)C(OC(O)=N)C(O)C3O)C(=O)CC(OC(C)=O)C3(C)OC3C(C)C3CC1(O)N=C(O)O3)=C(Cl)C(OC)=C2 InChI=1S/C36H48ClN3O15/c1-16-8-7-9-24(50-6)36(48)14-22(53-34(47)39-36)17(2)31-35(4,55-31)25(51-18(3)42)13-26(43)40(20-11-19(10-16)12-21(49-5)27(20)37)32-29(45)28(44)30(54-33(38)46)23(15-41)52-32/h7-9,11-12,17,22-25,28-32,41,44-45,48H,10,13-15H2,1-6H3,(H2,38,46)(H,39,47) |
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Synonyms | Value | Source |
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({6-[6-(acetyloxy)-11-chloro-21,23-dihydroxy-12,20-dimethoxy-2,5,16-trimethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1,.0,]hexacosa-10,12,14(26),16,18,22-hexaen-9-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)methanimidate | Generator |
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Chemical Formula | C36H48ClN3O15 |
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Average Mass | 798.2400 Da |
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Monoisotopic Mass | 797.27740 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 | COC1C=CC=C(C)CC2=CC(N(C3OC(CO)C(OC(O)=N)C(O)C3O)C(=O)CC(OC(C)=O)C3(C)OC3C(C)C3CC1(O)N=C(O)O3)=C(Cl)C(OC)=C2 |
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InChI Identifier | InChI=1S/C36H48ClN3O15/c1-16-8-7-9-24(50-6)36(48)14-22(53-34(47)39-36)17(2)31-35(4,55-31)25(51-18(3)42)13-26(43)40(20-11-19(10-16)12-21(49-5)27(20)37)32-29(45)28(44)30(54-33(38)46)23(15-41)52-32/h7-9,11-12,17,22-25,28-32,41,44-45,48H,10,13-15H2,1-6H3,(H2,38,46)(H,39,47) |
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InChI Key | BESFOVJZYFNUQE-UHFFFAOYSA-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 fatty acyl glycosides. Fatty acyl glycosides are compounds containing fatty acyl chain linked to a carbohydrate moiety through a glycosidic bond. Fatty acyl glycosides are composed of a glycosyl moiety (one or several units) linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acyl glycosides |
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Direct Parent | Fatty acyl glycosides |
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Alternative Parents | |
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Substituents | - Fatty n-acyl glycoside
- Macrolactam
- Hexose monosaccharide
- Glycosyl compound
- N-glycosyl compound
- Anisole
- Alkyl aryl ether
- 1,3-oxazinane
- Aryl chloride
- Aryl halide
- Benzenoid
- Oxazinane
- Oxane
- Monosaccharide
- Carbamic acid ester
- Tertiary carboxylic acid amide
- Carboxamide group
- Carboxylic acid ester
- Secondary alcohol
- Lactam
- Carbonic acid derivative
- Monocarboxylic acid or derivatives
- Carboximidic acid derivative
- Carboxylic acid derivative
- Dialkyl ether
- Alkanolamine
- Organoheterocyclic compound
- Azacycle
- Oxacycle
- Ether
- Oxirane
- Organonitrogen compound
- Imine
- Alcohol
- Organic oxygen compound
- Organic nitrogen compound
- Primary alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organopnictogen compound
- Organohalogen compound
- Organochloride
- 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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