Record Information |
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Version | 2.0 |
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Created at | 2022-09-11 22:36:59 UTC |
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Updated at | 2022-09-11 22:36:59 UTC |
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NP-MRD ID | NP0320773 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | hydroxy({[(3s,6s)-6-hydroxy-4,7,7-trimethyl-1-oxo-3h,6h,8h-indeno[4,5-c]furan-3-yl]methoxy})oxoazanium |
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Description | Alcyopterosin M belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone. hydroxy({[(3s,6s)-6-hydroxy-4,7,7-trimethyl-1-oxo-3h,6h,8h-indeno[4,5-c]furan-3-yl]methoxy})oxoazanium is found in Alcyonium antarcticum. It was first documented in 2010 (PMID: 21082783). Based on a literature review very few articles have been published on Alcyopterosin M. |
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Structure | CC1=CC2=C(CC(C)(C)[C@@H]2O)C2=C1[C@@H](CO[N+](O)=O)OC2=O InChI=1S/C15H18NO6/c1-7-4-8-9(5-15(2,3)13(8)17)12-11(7)10(22-14(12)18)6-21-16(19)20/h4,10,13,17H,5-6H2,1-3H3,(H,19,20)/q+1/t10-,13-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H18NO6 |
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Average Mass | 308.3090 Da |
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Monoisotopic Mass | 308.11286 Da |
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IUPAC Name | hydroxy({[(3S,6S)-6-hydroxy-4,7,7-trimethyl-1-oxo-1H,3H,6H,7H,8H-indeno[4,5-c]furan-3-yl]methoxy})oxoazanium |
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Traditional Name | hydroxy({[(3S,6S)-6-hydroxy-4,7,7-trimethyl-1-oxo-3H,6H,8H-indeno[4,5-c]furan-3-yl]methoxy})oxoazanium |
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CAS Registry Number | Not Available |
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SMILES | CC1=CC2=C(CC(C)(C)[C@@H]2O)C2=C1[C@@H](CO[N+](O)=O)OC2=O |
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InChI Identifier | InChI=1S/C15H18NO6/c1-7-4-8-9(5-15(2,3)13(8)17)12-11(7)10(22-14(12)18)6-21-16(19)20/h4,10,13,17H,5-6H2,1-3H3,(H,19,20)/q+1/t10-,13-/m1/s1 |
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InChI Key | XLAPAMDTYHBCIK-ZWNOBZJWSA-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 benzofuranones. These are organic compounds containing a benzene ring fused to a furanone. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Benzofurans |
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Sub Class | Benzofuranones |
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Direct Parent | Benzofuranones |
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Alternative Parents | |
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Substituents | - Benzofuranone
- Isobenzofuranone
- Phthalide
- Indane
- Isocoumaran
- Benzenoid
- Organic nitrate
- Alkyl nitrate
- Carboxylic acid ester
- Lactone
- Organic nitric acid or derivatives
- Secondary alcohol
- Organic nitro compound
- Carboxylic acid derivative
- Oxacycle
- Organooxygen compound
- Organic nitrogen compound
- Organic oxide
- Organic oxygen compound
- Hydrocarbon derivative
- Alcohol
- Organic cation
- 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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