Record Information |
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Version | 1.0 |
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Created at | 2022-09-06 15:56:41 UTC |
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Updated at | 2022-09-06 15:56:42 UTC |
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NP-MRD ID | NP0234095 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1s,2s,3s,4s,5r,7s,9s,14s,16s,18r)-2,4,7,10-tetrahydroxy-1,7,9,16-tetramethyl-13,17-dioxapentacyclo[9.5.2.0³,¹⁴.0⁵,¹⁸.0¹⁴,¹⁸]octadec-10-ene-6,12-dione |
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Description | Abyssomicin Q belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Based on a literature review very few articles have been published on Abyssomicin Q. |
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Structure | C[C@H]1C[C@]23OC(=O)C4=C(O)[C@@H](C)C[C@](C)(O)C(=O)[C@@H]5[C@@H](O)[C@H]2[C@H](O)[C@@]1(C)O[C@@]345 InChI=1S/C20H26O8/c1-7-5-17(3,26)14(23)10-13(22)9-15(24)18(4)8(2)6-19(9)20(10,28-18)11(12(7)21)16(25)27-19/h7-10,13,15,21-22,24,26H,5-6H2,1-4H3/t7-,8-,9-,10-,13-,15-,17-,18-,19-,20+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H26O8 |
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Average Mass | 394.4200 Da |
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Monoisotopic Mass | 394.16277 Da |
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IUPAC Name | (1S,2S,3S,4S,5R,7S,9S,14S,16S,18R)-2,4,7,10-tetrahydroxy-1,7,9,16-tetramethyl-13,17-dioxapentacyclo[9.5.2.0^{3,14}.0^{5,18}.0^{14,18}]octadec-10-ene-6,12-dione |
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Traditional Name | (1S,2S,3S,4S,5R,7S,9S,14S,16S,18R)-2,4,7,10-tetrahydroxy-1,7,9,16-tetramethyl-13,17-dioxapentacyclo[9.5.2.0^{3,14}.0^{5,18}.0^{14,18}]octadec-10-ene-6,12-dione |
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CAS Registry Number | Not Available |
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SMILES | C[C@H]1C[C@]23OC(=O)C4=C(O)[C@@H](C)C[C@](C)(O)C(=O)[C@@H]5[C@@H](O)[C@H]2[C@H](O)[C@@]1(C)O[C@@]345 |
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InChI Identifier | InChI=1S/C20H26O8/c1-7-5-17(3,26)14(23)10-13(22)9-15(24)18(4)8(2)6-19(9)20(10,28-18)11(12(7)21)16(25)27-19/h7-10,13,15,21-22,24,26H,5-6H2,1-4H3/t7-,8-,9-,10-,13-,15-,17-,18-,19-,20+/m0/s1 |
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InChI Key | MVFRGMBYWIQNOX-KAADVHEXSA-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 furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Furopyrans |
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Sub Class | Not Available |
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Direct Parent | Furopyrans |
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Alternative Parents | |
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Substituents | - Furopyran
- Oxepane
- Pyran
- Oxane
- Gamma butyrolactone
- Acyloin
- Vinylogous acid
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Tetrahydrofuran
- Tertiary alcohol
- Furan
- Cyclic alcohol
- Secondary alcohol
- Lactone
- Ketone
- Carboxylic acid ester
- Oxacycle
- Polyol
- Monocarboxylic acid or derivatives
- Ether
- Enol
- Dialkyl ether
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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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