Record Information |
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Version | 1.0 |
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Created at | 2022-09-05 13:31:48 UTC |
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Updated at | 2022-09-05 13:31:48 UTC |
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NP-MRD ID | NP0214273 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | {[(4e,8s,9s,10e,12s,13r,14s,16r)-20-chloro-3,13,19,22-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18(22),19-heptaen-9-yl]oxy}methanimidic acid |
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Description | {[(4E,8S,9S,12S,13R,14S,16R)-20-chloro-3,13,19,22-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]Docosa-1(22),2,4,6,10,18,20-heptaen-9-yl]oxy}methanimidic acid belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional group. {[(4e,8s,9s,10e,12s,13r,14s,16r)-20-chloro-3,13,19,22-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18(22),19-heptaen-9-yl]oxy}methanimidic acid is found in Streptomyces hygroscopicus. Based on a literature review very few articles have been published on {[(4E,8S,9S,12S,13R,14S,16R)-20-chloro-3,13,19,22-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]Docosa-1(22),2,4,6,10,18,20-heptaen-9-yl]oxy}methanimidic acid. |
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Structure | CO[C@H]1C[C@H](C)CC2=C(O)C(=CC(Cl)=C2O)N=C(O)\C(C)=C\C=C[C@H](OC)[C@@H](OC(O)=N)\C(C)=C\[C@H](C)[C@H]1O InChI=1S/C28H39ClN2O8/c1-14-10-18-24(33)19(29)13-20(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,32-34H,10-11H2,1-6H3,(H2,30,36)(H,31,35)/b9-7?,15-8+,17-12+/t14-,16+,21+,22+,23-,26+/m1/s1 |
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Synonyms | Value | Source |
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{[(4E,8S,9S,12S,13R,14S,16R)-20-chloro-3,13,19,22-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(22),2,4,6,10,18,20-heptaen-9-yl]oxy}methanimidate | Generator |
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Chemical Formula | C28H39ClN2O8 |
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Average Mass | 567.0800 Da |
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Monoisotopic Mass | 566.23949 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 | CO[C@H]1C[C@H](C)CC2=C(O)C(=CC(Cl)=C2O)N=C(O)\C(C)=C\C=C[C@H](OC)[C@@H](OC(O)=N)\C(C)=C\[C@H](C)[C@H]1O |
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InChI Identifier | InChI=1S/C28H39ClN2O8/c1-14-10-18-24(33)19(29)13-20(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,32-34H,10-11H2,1-6H3,(H2,30,36)(H,31,35)/b9-7?,15-8+,17-12+/t14-,16+,21+,22+,23-,26+/m1/s1 |
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InChI Key | ZXJVPFOYHLXWJE-TZQHYGMQSA-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 aryl chlorides. These are organic compounds containing the acyl chloride functional group. |
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Kingdom | Organic compounds |
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Super Class | Organohalogen compounds |
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Class | Aryl halides |
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Sub Class | Aryl chlorides |
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Direct Parent | Aryl chlorides |
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Alternative Parents | |
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Substituents | - Benzenoid
- Aryl chloride
- Cyclic carboximidic acid
- Secondary alcohol
- Azacycle
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Polyol
- Ether
- Dialkyl ether
- Carboximidic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organochloride
- Imine
- Alcohol
- 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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