| Record Information |
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| Version | 2.0 |
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| Created at | 2022-06-29 20:20:57 UTC |
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| Updated at | 2022-06-29 20:20:57 UTC |
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| NP-MRD ID | NP0140011 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Sparteine sulfate pentahydrate |
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| Description | SPARTEINE SULFATE, also known as sparteine sulphate or D-sparteine, belongs to the class of organic compounds known as sparteine, lupanine, and related alkaloids. These are alkaloids with a structure based on either sparteine, lupanine, or derivatives thereof. These are tetracyclic compounds made of two fused quinolizidine ring systems. Sparteine sulfate pentahydrate was first documented in 2007 (PMID: 17598433). Based on a literature review a small amount of articles have been published on SPARTEINE SULFATE (PMID: 35766744) (PMID: 32781652) (PMID: 27262285). |
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| Structure | OS(O)(=O)=O.C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]2C1 InChI=1S/C15H26N2.H2O4S/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4/h12-15H,1-11H2;(H2,1,2,3,4)/t12-,13-,14-,15+;/m0./s1 |
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| Synonyms | | Value | Source |
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| SPARTEINE sulfuric acid | Generator | | SPARTEINE sulphate | Generator | | SPARTEINE sulphuric acid | Generator | | Anhydrous, sparteine sulfate | MeSH | | D-Sparteine | MeSH | | Depasan retard | MeSH | | Pachycarpine | MeSH | | Sparteine hydroiodide, (7R-(7alpha,7aalpha,14alpha,14abeta))-isomer | MeSH | | Sparteine monohydroiodide, (7R-(7alpha,7aalpha,14alpha,14abeta))-isomer | MeSH | | Sparteine, (+)-isomer | MeSH | | Sparteine, (-)-isomer | MeSH | | Sparteine, (7S-(7alpha,7abeta,14alpha,14abeta))-isomer | MeSH | | Sulfate anhydrous, sparteine | MeSH | | Pachycarpine sulfate (1:1), pentahydrate, (7S-(7alpha,7aalpha,14alpha,14abeta))-isomer | MeSH | | Sparteine sulfate (1:1), (7S-(7alpha,7aalpha,14alpha,14abeta))-isomer | MeSH | | Sparteine sulfate anhydrous | MeSH | | Sparteine, (7S-(7alpha,7aalpha,14alpha,14abeta))-isomer | MeSH | | Sparteine monohydrochloride, (7R-(7alpha,7aalpha,14alpha,14abeta))-isomer | MeSH | | Sparteine, (7R-(7alpha,7abeta,14alpha,14abeta))-isomer | MeSH | | Sparteine, (7S-(7alpha,7aalpha,14alpha,14aalpha))-isomer | MeSH | | alpha Isosparteine | MeSH | | beta Isosparteine | MeSH | | Genisteine alkaloid | MeSH | | L-Sparteine | MeSH | | Sparteine | MeSH | | Sparteine hydrochloride, (7R-(7alpha,7aalpha,14alpha,14abeta))-isomer | MeSH | | Sparteine hydrochloride, (7S-(7alpha,7aalpha,14alpha,14abeta))-isomer | MeSH | | Sparteine sulfate (1:1), (7S-(7alpha,7aalpha,14alpha,14aalpha))-isomer | MeSH | | Sparteine, (7R-(7alpha,7aalpha,14alpha,14abeta))-isomer | MeSH | | alpha-Isosparteine | MeSH | | beta-Isosparteine | MeSH |
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| Chemical Formula | C15H28N2O4S |
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| Average Mass | 332.4600 Da |
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| Monoisotopic Mass | 332.17698 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 | OS(O)(=O)=O.C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]2C1 |
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| InChI Identifier | InChI=1S/C15H26N2.H2O4S/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4/h12-15H,1-11H2;(H2,1,2,3,4)/t12-,13-,14-,15+;/m0./s1 |
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| InChI Key | FCEHFCFHANDXMB-UMEYXWOPSA-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 | Not Available |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as sparteine, lupanine, and related alkaloids. These are alkaloids with a structure based on either sparteine, lupanine, or derivatives thereof. These are tetracyclic compounds made of two fused quinolizidine ring systems. |
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| Kingdom | Organic compounds |
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| Super Class | Alkaloids and derivatives |
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| Class | Lupin alkaloids |
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| Sub Class | Sparteine, lupanine, and related alkaloids |
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| Direct Parent | Sparteine, lupanine, and related alkaloids |
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| Alternative Parents | |
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| Substituents | - Sparteine-lupanine skeleton
- Quinolizidine
- Sulfuric acid
- Piperidine
- Organic sulfuric acid or derivatives
- Tertiary aliphatic amine
- Tertiary amine
- Azacycle
- Organoheterocyclic compound
- Amine
- Hydrocarbon derivative
- Organic oxide
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic 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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