Record Information |
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Version | 1.0 |
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Created at | 2022-04-27 20:49:04 UTC |
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Updated at | 2022-04-27 20:49:04 UTC |
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NP-MRD ID | NP0050230 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Pyrethrosine |
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Description | (1S,3S,5R,8E,10R,12R,13S,16S)-12-methoxy-3,8-dimethyl-4,11,15-trioxatetracyclo[8.5.1.0³,⁵.0¹³,¹⁶]Hexadec-8-en-14-one belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyrethrosine is found in Chrysanthemum cinerariifolium . Based on a literature review very few articles have been published on (1S,3S,5R,8E,10R,12R,13S,16S)-12-methoxy-3,8-dimethyl-4,11,15-trioxatetracyclo[8.5.1.0³,⁵.0¹³,¹⁶]Hexadec-8-en-14-one. |
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Structure | CO[C@@H]1O[C@@H]2\C=C(C)\CC[C@H]3O[C@@]3(C)C[C@@H]3OC(=O)[C@H]1[C@H]23 InChI=1S/C16H22O5/c1-8-4-5-11-16(2,21-11)7-10-12-9(6-8)20-15(18-3)13(12)14(17)19-10/h6,9-13,15H,4-5,7H2,1-3H3/b8-6+/t9-,10+,11-,12-,13-,15-,16+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C16H22O5 |
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Average Mass | 294.3470 Da |
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Monoisotopic Mass | 294.14672 Da |
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IUPAC Name | (1S,3S,5R,8E,10R,12R,13S,16S)-12-methoxy-3,8-dimethyl-4,11,15-trioxatetracyclo[8.5.1.0^{3,5}.0^{13,16}]hexadec-8-en-14-one |
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Traditional Name | (1S,3S,5R,8E,10R,12R,13S,16S)-12-methoxy-3,8-dimethyl-4,11,15-trioxatetracyclo[8.5.1.0^{3,5}.0^{13,16}]hexadec-8-en-14-one |
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CAS Registry Number | Not Available |
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SMILES | CO[C@@H]1O[C@@H]2\C=C(C)\CC[C@H]3O[C@@]3(C)C[C@@H]3OC(=O)[C@H]1[C@H]23 |
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InChI Identifier | InChI=1S/C16H22O5/c1-8-4-5-11-16(2,21-11)7-10-12-9(6-8)20-15(18-3)13(12)14(17)19-10/h6,9-13,15H,4-5,7H2,1-3H3/b8-6+/t9-,10+,11-,12-,13-,15-,16+/m1/s1 |
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InChI Key | TUUBFKVUAKIOMJ-AUKVQBDGSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Not Available | 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 furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Furofurans |
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Sub Class | Not Available |
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Direct Parent | Furofurans |
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Alternative Parents | |
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Substituents | - Furofuran
- Gamma butyrolactone
- Tetrahydrofuran
- Lactone
- Carboxylic acid ester
- Oxacycle
- Monocarboxylic acid or derivatives
- Ether
- Oxirane
- Dialkyl ether
- Carboxylic acid derivative
- Acetal
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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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