| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-12 14:05:55 UTC |
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| Updated at | 2022-09-12 14:05:55 UTC |
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| NP-MRD ID | NP0329579 |
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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)-23-hydroxy-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 | (1S,6R,8R,11R,12R,13S,23S)-23-hydroxy-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. (1s,6r,8r,11r,12r,13s,23s)-23-hydroxy-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 (1S,6R,8R,11R,12R,13S,23S)-23-hydroxy-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)[C@@]13CCNC[C@@]45O[C@@H]4CO[C@@H]4CC(=O)N2[C@H]1[C@H]4[C@@]5(O)CC3=O InChI=1S/C23H26N2O7/c1-29-13-5-11-12(6-14(13)30-2)25-18(27)7-15-19-20(25)21(11)3-4-24-10-23(17(32-23)9-31-15)22(19,28)8-16(21)26/h5-6,15,17,19-20,24,28H,3-4,7-10H2,1-2H3/t15-,17-,19+,20+,21-,22+,23-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C23H26N2O7 |
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| Average Mass | 442.4680 Da |
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| Monoisotopic Mass | 442.17400 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 | COC1=CC2=C(C=C1OC)[C@@]13CCNC[C@@]45O[C@@H]4CO[C@@H]4CC(=O)N2[C@H]1[C@H]4[C@@]5(O)CC3=O |
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| InChI Identifier | InChI=1S/C23H26N2O7/c1-29-13-5-11-12(6-14(13)30-2)25-18(27)7-15-19-20(25)21(11)3-4-24-10-23(17(32-23)9-31-15)22(19,28)8-16(21)26/h5-6,15,17,19-20,24,28H,3-4,7-10H2,1-2H3/t15-,17-,19+,20+,21-,22+,23-/m1/s1 |
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| InChI Key | YROKDQUJJIAIBL-ORCPJIKOSA-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
- Oxepane
- Delta-lactam
- Aralkylamine
- Piperidinone
- Piperidine
- Benzenoid
- Cyclic alcohol
- Tertiary carboxylic acid amide
- Tertiary alcohol
- Ketone
- Carboxamide group
- Amino acid or derivatives
- Lactam
- Carboxylic acid derivative
- Oxacycle
- Azacycle
- Dialkyl ether
- Secondary aliphatic amine
- Oxirane
- Ether
- Secondary amine
- Organic nitrogen compound
- Alcohol
- Hydrocarbon derivative
- Amine
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Carbonyl group
- Organooxygen compound
- Organonitrogen 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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