Record Information |
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Version | 2.0 |
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Created at | 2022-09-11 22:30:45 UTC |
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Updated at | 2022-09-11 22:30:45 UTC |
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NP-MRD ID | NP0320705 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1r)-3,3,5-trimethyl-1-{3,3,5-trimethyl-11h-pyrano[3,2-a]carbazol-10-yl}-1h,2h,11h-pyrano[3,2-a]carbazole |
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Description | 5,5,8-Trimethyl-15-[(3R)-5,5,8-trimethyl-6-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-1(10),2(7),8,11,13,15-hexaen-3-yl]-6-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-1,3,7,9,11(16),12,14-heptaene 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. (1r)-3,3,5-trimethyl-1-{3,3,5-trimethyl-11h-pyrano[3,2-a]carbazol-10-yl}-1h,2h,11h-pyrano[3,2-a]carbazole is found in Murraya euchrestifolia. Based on a literature review very few articles have been published on 5,5,8-trimethyl-15-[(3R)-5,5,8-trimethyl-6-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-1(10),2(7),8,11,13,15-hexaen-3-yl]-6-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-1,3,7,9,11(16),12,14-heptaene. |
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Structure | CC1=CC2=C(NC3=C2C=CC=C3[C@H]2CC(C)(C)OC3=C2C2=C(C=C3C)C3=C(N2)C=CC=C3)C2=C1OC(C)(C)C=C2 InChI=1S/C36H34N2O2/c1-19-16-26-22-11-9-12-23(30(22)38-31(26)24-14-15-35(3,4)39-33(19)24)27-18-36(5,6)40-34-20(2)17-25-21-10-7-8-13-28(21)37-32(25)29(27)34/h7-17,27,37-38H,18H2,1-6H3/t27-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C36H34N2O2 |
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Average Mass | 526.6800 Da |
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Monoisotopic Mass | 526.26203 Da |
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IUPAC Name | 5,5,8-trimethyl-15-[(1R)-3,3,5-trimethyl-1H,2H,3H,11H-pyrano[3,2-a]carbazol-1-yl]-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,8,11(16),12,14-heptaene |
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Traditional Name | 5,5,8-trimethyl-15-[(1R)-3,3,5-trimethyl-1H,2H,11H-pyrano[3,2-a]carbazol-1-yl]-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,8,11(16),12,14-heptaene |
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CAS Registry Number | Not Available |
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SMILES | CC1=CC2=C(NC3=C2C=CC=C3[C@H]2CC(C)(C)OC3=C2C2=C(C=C3C)C3=C(N2)C=CC=C3)C2=C1OC(C)(C)C=C2 |
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InChI Identifier | InChI=1S/C36H34N2O2/c1-19-16-26-22-11-9-12-23(30(22)38-31(26)24-14-15-35(3,4)39-33(19)24)27-18-36(5,6)40-34-20(2)17-25-21-10-7-8-13-28(21)37-32(25)29(27)34/h7-17,27,37-38H,18H2,1-6H3/t27-/m1/s1 |
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InChI Key | CBRHKOUTCCINEW-HHHXNRCGSA-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
- 2,2-dimethyl-1-benzopyran
- Chromane
- Benzopyran
- 1-benzopyran
- Indole
- Alkyl aryl ether
- Benzenoid
- Heteroaromatic compound
- Pyrrole
- Ether
- Oxacycle
- Azacycle
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Organic oxygen 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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