Record Information |
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Version | 1.0 |
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Created at | 2022-09-09 22:43:01 UTC |
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Updated at | 2022-09-09 22:43:01 UTC |
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NP-MRD ID | NP0291570 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1s,6r,8r,11r,12r,13s,23s)-16,23-dihydroxy-4-methyl-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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Description | (1S,6R,8R,11R,12R,13S,23S)-16,23-dihydroxy-4-methyl-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 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. (1s,6r,8r,11r,12r,13s,23s)-16,23-dihydroxy-4-methyl-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 is found in Strychnos icaja. Based on a literature review very few articles have been published on (1S,6R,8R,11R,12R,13S,23S)-16,23-dihydroxy-4-methyl-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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Structure | CN1CC[C@@]23[C@@H]4[C@@H]5[C@@H](CC(=O)N4C4=C(O)C=CC=C24)OC[C@H]2O[C@@]2(C1)[C@]5(O)CC3=O InChI=1S/C22H24N2O6/c1-23-6-5-20-11-3-2-4-12(25)18(11)24-16(27)7-13-17(19(20)24)21(28,8-14(20)26)22(10-23)15(30-22)9-29-13/h2-4,13,15,17,19,25,28H,5-10H2,1H3/t13-,15-,17+,19+,20-,21+,22-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C22H24N2O6 |
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Average Mass | 412.4420 Da |
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Monoisotopic Mass | 412.16344 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | CN1CC[C@@]23[C@@H]4[C@@H]5[C@@H](CC(=O)N4C4=C(O)C=CC=C24)OC[C@H]2O[C@@]2(C1)[C@]5(O)CC3=O |
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InChI Identifier | InChI=1S/C22H24N2O6/c1-23-6-5-20-11-3-2-4-12(25)18(11)24-16(27)7-13-17(19(20)24)21(28,8-14(20)26)22(10-23)15(30-22)9-29-13/h2-4,13,15,17,19,25,28H,5-10H2,1H3/t13-,15-,17+,19+,20-,21+,22-/m1/s1 |
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InChI Key | QNRVWPGBSWVCOC-GDYXFZRLSA-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
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Delta-lactam
- Oxepane
- Piperidinone
- Aralkylamine
- Piperidine
- Benzenoid
- Cyclic alcohol
- Tertiary alcohol
- Tertiary carboxylic acid amide
- Amino acid or derivatives
- Carboxamide group
- Ketone
- Lactam
- Tertiary amine
- Tertiary aliphatic amine
- Oxacycle
- Carboxylic acid derivative
- Dialkyl ether
- Azacycle
- Ether
- Oxirane
- Carbonyl group
- Organic oxygen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Organooxygen compound
- Organopnictogen compound
- Alcohol
- Organic oxide
- Amine
- 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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