| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2022-09-09 19:41:33 UTC |
|---|
| Updated at | 2022-09-09 19:41:33 UTC |
|---|
| NP-MRD ID | NP0289484 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | 20-methyl-8-azahexacyclo[10.6.1.1⁹,¹².0¹,⁹.0²,⁷.0¹⁶,¹⁹]icosa-2,4,6-triene |
|---|
| Description | 20-Methyl-8-azahexacyclo[10.6.1.1⁹,¹².0¹,⁹.0²,⁷.0¹⁶,¹⁹]Icosa-2,4,6-triene 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. 20-methyl-8-azahexacyclo[10.6.1.1⁹,¹².0¹,⁹.0²,⁷.0¹⁶,¹⁹]icosa-2,4,6-triene is found in Hunteria zeylanica. Based on a literature review very few articles have been published on 20-methyl-8-azahexacyclo[10.6.1.1⁹,¹².0¹,⁹.0²,⁷.0¹⁶,¹⁹]Icosa-2,4,6-triene. |
|---|
| Structure | CC1C23CCC11NC4=CC=CC=C4C11CCC(CCC2)C31 InChI=1S/C20H25N/c1-13-18-9-4-5-14-8-10-19(17(14)18)15-6-2-3-7-16(15)21-20(13,19)12-11-18/h2-3,6-7,13-14,17,21H,4-5,8-12H2,1H3 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C20H25N |
|---|
| Average Mass | 279.4270 Da |
|---|
| Monoisotopic Mass | 279.19870 Da |
|---|
| IUPAC Name | Not Available |
|---|
| Traditional Name | Not Available |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | CC1C23CCC11NC4=CC=CC=C4C11CCC(CCC2)C31 |
|---|
| InChI Identifier | InChI=1S/C20H25N/c1-13-18-9-4-5-14-8-10-19(17(14)18)15-6-2-3-7-16(15)21-20(13,19)12-11-18/h2-3,6-7,13-14,17,21H,4-5,8-12H2,1H3 |
|---|
| InChI Key | VAICMSVUZDXULU-UHFFFAOYSA-N |
|---|
| Experimental Spectra |
|---|
|
| Not Available | | Predicted Spectra |
|---|
|
| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
|---|
| 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 |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organoheterocyclic compounds |
|---|
| Class | Indoles and derivatives |
|---|
| Sub Class | Carbazoles |
|---|
| Direct Parent | Carbazoles |
|---|
| Alternative Parents | |
|---|
| Substituents | - Carbazole
- 2,3-cyclopentanoindoline
- Aromatic monoterpenoid
- Norbornane monoterpenoid
- Monoterpenoid
- Dihydroindole
- Aralkylamine
- Secondary aliphatic/aromatic amine
- Benzenoid
- Azacycle
- Secondary amine
- Amine
- Hydrocarbon derivative
- Organopnictogen compound
- Organic nitrogen compound
- Organonitrogen compound
- Aromatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aromatic heteropolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|