| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-28 13:10:26 UTC |
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| Updated at | 2022-04-28 13:10:26 UTC |
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| NP-MRD ID | NP0068177 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (+)-Stephaoxocanine |
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| Description | (5R,8R)-15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]Octadeca-1(17),2,9,13,15-pentaen-5-ol belongs to the class of organic compounds known as dihydroisoquinolines. These are isoquinoline derivatives where exactly two carbon atoms joined by an aromatic bond are linked with a hydrogen atom each, resulting in a CC single bond. (+)-Stephaoxocanine is found in Stephania cephalantha and Stephania cepharantha Hayata . Based on a literature review very few articles have been published on (5R,8R)-15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]Octadeca-1(17),2,9,13,15-pentaen-5-ol. |
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| Structure | COC1=CC2=C3C(=NCC2)[C@H]2CC[C@@H](O)CC=C(O2)C3=C1OC InChI=1S/C18H21NO4/c1-21-14-9-10-7-8-19-17-13-6-4-11(20)3-5-12(23-13)16(15(10)17)18(14)22-2/h5,9,11,13,20H,3-4,6-8H2,1-2H3/t11-,13+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C18H21NO4 |
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| Average Mass | 315.3690 Da |
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| Monoisotopic Mass | 315.14706 Da |
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| IUPAC Name | (5R,8R)-15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.1^{2,8}.0^{13,17}]octadeca-1(16),2,9,13(17),14-pentaen-5-ol |
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| Traditional Name | (5R,8R)-15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.1^{2,8}.0^{13,17}]octadeca-1(16),2,9,13(17),14-pentaen-5-ol |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC2=C3C(=NCC2)[C@H]2CC[C@@H](O)CC=C(O2)C3=C1OC |
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| InChI Identifier | InChI=1S/C18H21NO4/c1-21-14-9-10-7-8-19-17-13-6-4-11(20)3-5-12(23-13)16(15(10)17)18(14)22-2/h5,9,11,13,20H,3-4,6-8H2,1-2H3/t11-,13+/m0/s1 |
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| InChI Key | CTANNMFQGGLVEE-WCQYABFASA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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 dihydroisoquinolines. These are isoquinoline derivatives where exactly two carbon atoms joined by an aromatic bond are linked with a hydrogen atom each, resulting in a CC single bond. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Dihydroisoquinolines |
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| Sub Class | Not Available |
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| Direct Parent | Dihydroisoquinolines |
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| Alternative Parents | |
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| Substituents | - Benzopyran
- Isochromane
- Dihydroisoquinoline
- 2-benzopyran
- Anisole
- Alkyl aryl ether
- Benzenoid
- Ketimine
- Secondary alcohol
- Oxacycle
- Ether
- Azacycle
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Imine
- Organic nitrogen compound
- Alcohol
- Hydrocarbon derivative
- Organic oxygen compound
- Organonitrogen compound
- Organooxygen compound
- Organopnictogen 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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