Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 20:40:33 UTC |
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Updated at | 2022-09-07 20:40:33 UTC |
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NP-MRD ID | NP0255983 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | {[(4e,6e,8s,9r,10e,12r,13s,14r,16r)-19-formyl-3,20,22-trihydroxy-8,13,14-trimethoxy-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,6E,8S,9R,12R,13S,14R,16R)-19-formyl-3,20,22-trihydroxy-8,13,14-trimethoxy-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 belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. {[(4e,6e,8s,9r,10e,12r,13s,14r,16r)-19-formyl-3,20,22-trihydroxy-8,13,14-trimethoxy-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,6E,8S,9R,12R,13S,14R,16R)-19-formyl-3,20,22-trihydroxy-8,13,14-trimethoxy-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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Structure | CO[C@@H]1C[C@H](C)CC2=C(O)C(=CC(O)=C2C=O)N=C(O)\C(C)=C\C=C\[C@H](OC)[C@H](OC(O)=N)\C(C)=C\[C@@H](C)[C@@H]1OC InChI=1S/C30H42N2O9/c1-16-11-20-21(15-33)23(34)14-22(26(20)35)32-29(36)17(2)9-8-10-24(38-5)28(41-30(31)37)19(4)13-18(3)27(40-7)25(12-16)39-6/h8-10,13-16,18,24-25,27-28,34-35H,11-12H2,1-7H3,(H2,31,37)(H,32,36)/b10-8+,17-9+,19-13+/t16-,18-,24+,25-,27+,28-/m1/s1 |
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Synonyms | Value | Source |
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{[(4E,6E,8S,9R,12R,13S,14R,16R)-19-formyl-3,20,22-trihydroxy-8,13,14-trimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18(22),19-heptaen-9-yl]oxy}methanimidate | Generator |
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Chemical Formula | C30H42N2O9 |
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Average Mass | 574.6710 Da |
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Monoisotopic Mass | 574.28903 Da |
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IUPAC Name | {[(4E,6E,8S,9R,10E,12R,13S,14R,16R)-19-formyl-3,20,22-trihydroxy-8,13,14-trimethoxy-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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Traditional Name | {[(4E,6E,8S,9R,10E,12R,13S,14R,16R)-19-formyl-3,20,22-trihydroxy-8,13,14-trimethoxy-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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CAS Registry Number | Not Available |
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SMILES | CO[C@@H]1C[C@H](C)CC2=C(O)C(=CC(O)=C2C=O)N=C(O)\C(C)=C\C=C\[C@H](OC)[C@H](OC(O)=N)\C(C)=C\[C@@H](C)[C@@H]1OC |
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InChI Identifier | InChI=1S/C30H42N2O9/c1-16-11-20-21(15-33)23(34)14-22(26(20)35)32-29(36)17(2)9-8-10-24(38-5)28(41-30(31)37)19(4)13-18(3)27(40-7)25(12-16)39-6/h8-10,13-16,18,24-25,27-28,34-35H,11-12H2,1-7H3,(H2,31,37)(H,32,36)/b10-8+,17-9+,19-13+/t16-,18-,24+,25-,27+,28-/m1/s1 |
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InChI Key | HQFCNCFMYXBIIK-KEYLCGSLSA-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 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Phenols |
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Sub Class | 1-hydroxy-2-unsubstituted benzenoids |
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Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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Alternative Parents | |
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Substituents | - 1-hydroxy-2-unsubstituted benzenoid
- Aryl-aldehyde
- Vinylogous acid
- Cyclic carboximidic acid
- Carboximidic acid derivative
- Dialkyl ether
- Ether
- Polyol
- Azacycle
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Aldehyde
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Imine
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- 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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