Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 21:53:31 UTC |
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Updated at | 2022-09-07 21:53:32 UTC |
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NP-MRD ID | NP0256914 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1r,2s)-1-[(1s,2r)-2-[(3ar,5r,6as)-3-bromo-5-(3-bromopropa-1,2-dien-1-yl)-3ah,5h,6h,6ah-furo[3,2-b]furan-2-yl]cyclopropyl]-1-chloropropan-2-ol |
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Description | (1R,2S)-1-[(1S,2R)-2-[(3aR,5R,6aS)-3-bromo-5-(3-bromopropa-1,2-dien-1-yl)-3aH,5H,6H,6aH-furo[3,2-b]furan-2-yl]cyclopropyl]-1-chloropropan-2-ol 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. (1r,2s)-1-[(1s,2r)-2-[(3ar,5r,6as)-3-bromo-5-(3-bromopropa-1,2-dien-1-yl)-3ah,5h,6h,6ah-furo[3,2-b]furan-2-yl]cyclopropyl]-1-chloropropan-2-ol is found in Laurencia intricata. Based on a literature review very few articles have been published on (1R,2S)-1-[(1S,2R)-2-[(3aR,5R,6aS)-3-bromo-5-(3-bromopropa-1,2-dien-1-yl)-3aH,5H,6H,6aH-furo[3,2-b]furan-2-yl]cyclopropyl]-1-chloropropan-2-ol. |
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Structure | C[C@H](O)[C@H](Cl)[C@H]1C[C@H]1C1=C(Br)[C@@H]2O[C@H](C[C@@H]2O1)C=C=CBr InChI=1S/C15H17Br2ClO3/c1-7(19)13(18)9-6-10(9)14-12(17)15-11(21-14)5-8(20-15)3-2-4-16/h3-4,7-11,13,15,19H,5-6H2,1H3/t2?,7-,8-,9-,10+,11-,13-,15+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H17Br2ClO3 |
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Average Mass | 440.5600 Da |
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Monoisotopic Mass | 437.92330 Da |
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IUPAC Name | (1R,2S)-1-[(1S,2R)-2-[(3aR,5R,6aS)-3-bromo-5-(3-bromopropa-1,2-dien-1-yl)-3aH,5H,6H,6aH-furo[3,2-b]furan-2-yl]cyclopropyl]-1-chloropropan-2-ol |
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Traditional Name | (1R,2S)-1-[(1S,2R)-2-[(3aR,5R,6aS)-3-bromo-5-(3-bromopropa-1,2-dien-1-yl)-3aH,5H,6H,6aH-furo[3,2-b]furan-2-yl]cyclopropyl]-1-chloropropan-2-ol |
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CAS Registry Number | Not Available |
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SMILES | C[C@H](O)[C@H](Cl)[C@H]1C[C@H]1C1=C(Br)[C@@H]2O[C@H](C[C@@H]2O1)C=C=CBr |
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InChI Identifier | InChI=1S/C15H17Br2ClO3/c1-7(19)13(18)9-6-10(9)14-12(17)15-11(21-14)5-8(20-15)3-2-4-16/h3-4,7-11,13,15,19H,5-6H2,1H3/t2?,7-,8-,9-,10+,11-,13-,15+/m0/s1 |
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InChI Key | NPYXITOJUNTZLO-JSPQHUIRSA-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 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
- Tetrahydrofuran
- Dihydrofuran
- Secondary alcohol
- Halohydrin
- Chlorohydrin
- Oxacycle
- Bromoalkene
- Haloalkene
- Vinyl halide
- Vinyl bromide
- Ether
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organochloride
- Organobromide
- Organohalogen compound
- Alkyl halide
- Alkyl chloride
- Alcohol
- 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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