| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-05 16:11:40 UTC |
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| Updated at | 2022-09-05 16:11:40 UTC |
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| NP-MRD ID | NP0216296 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 17,18-dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]pentacosa-15(20),16,18-triene-21,24-dione |
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| Description | 17,18-Dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]Pentacosa-15,17,19-triene-21,24-dione belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. 17,18-dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]pentacosa-15(20),16,18-triene-21,24-dione is found in Strychnos icaja. Based on a literature review very few articles have been published on 17,18-dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]Pentacosa-15,17,19-triene-21,24-dione. |
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| Structure | COC1=CC2=C(C=C1OC)C13CCNCC45OC4COC4CC(=O)N2C1C4C5CC3=O InChI=1S/C23H26N2O6/c1-28-14-5-11-13(7-15(14)29-2)25-19(27)8-16-20-12-6-17(26)22(11,21(20)25)3-4-24-10-23(12)18(31-23)9-30-16/h5,7,12,16,18,20-21,24H,3-4,6,8-10H2,1-2H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C23H26N2O6 |
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| Average Mass | 426.4690 Da |
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| Monoisotopic Mass | 426.17909 Da |
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| IUPAC Name | 17,18-dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2^{11,14}.0^{1,13}.0^{6,8}.0^{6,23}.0^{15,20}]pentacosa-15(20),16,18-triene-21,24-dione |
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| Traditional Name | 17,18-dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2^{11,14}.0^{1,13}.0^{6,8}.0^{6,23}.0^{15,20}]pentacosa-15(20),16,18-triene-21,24-dione |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC2=C(C=C1OC)C13CCNCC45OC4COC4CC(=O)N2C1C4C5CC3=O |
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| InChI Identifier | InChI=1S/C23H26N2O6/c1-28-14-5-11-13(7-15(14)29-2)25-19(27)8-16-20-12-6-17(26)22(11,21(20)25)3-4-24-10-23(12)18(31-23)9-30-16/h5,7,12,16,18,20-21,24H,3-4,6,8-10H2,1-2H3 |
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| InChI Key | MUZDJEBALWQQOO-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 carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Indoles and derivatives |
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| Sub Class | Carbazoles |
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| Direct Parent | Carbazoles |
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| Alternative Parents | |
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| Substituents | - Carbazole
- Quinolidine
- Anisole
- Alkyl aryl ether
- Delta-lactam
- Aralkylamine
- Piperidinone
- Oxepane
- Benzenoid
- Piperidine
- Tertiary carboxylic acid amide
- Amino acid or derivatives
- Carboxamide group
- Ketone
- Lactam
- Carboxylic acid derivative
- Oxacycle
- Dialkyl ether
- Secondary aliphatic amine
- Oxirane
- Ether
- Azacycle
- Secondary amine
- Amine
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Carbonyl group
- Hydrocarbon derivative
- Organonitrogen compound
- Organooxygen 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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