Record Information |
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Version | 1.0 |
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Created at | 2022-09-09 22:11:59 UTC |
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Updated at | 2022-09-09 22:12:00 UTC |
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NP-MRD ID | NP0291197 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 8,13,18-trihydroxy-12-oxapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁷,²¹]henicosa-1(21),2(11),4,6,8,14,17,19-octaene-3,10,16-trione |
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Description | 8,13,18-Trihydroxy-12-oxapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁷,²¹]Henicosa-1(21),2(11),4(9),5,7,14,17,19-octaene-3,10,16-trione belongs to the class of organic compounds known as naphthopyranones. Naphthopyranones are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system. 8,13,18-trihydroxy-12-oxapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁷,²¹]henicosa-1(21),2(11),4,6,8,14,17,19-octaene-3,10,16-trione is found in Helicoon richonis. 8,13,18-Trihydroxy-12-oxapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁷,²¹]Henicosa-1(21),2(11),4(9),5,7,14,17,19-octaene-3,10,16-trione is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | OC1=CC=C2C3=C(OC4(O)C=CC(=O)C1=C24)C(=O)C1=C(O)C=CC=C1C3=O InChI=1S/C20H10O7/c21-10-3-1-2-9-13(10)18(25)19-14(17(9)24)8-4-5-11(22)15-12(23)6-7-20(26,27-19)16(8)15/h1-7,21-22,26H |
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Synonyms | Not Available |
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Chemical Formula | C20H10O7 |
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Average Mass | 362.2930 Da |
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Monoisotopic Mass | 362.04265 Da |
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IUPAC Name | 8,13,18-trihydroxy-12-oxapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁷,²¹]henicosa-1(20),2(11),4,6,8,14,17(21),18-octaene-3,10,16-trione |
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Traditional Name | 8,13,18-trihydroxy-12-oxapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁷,²¹]henicosa-1(20),2(11),4,6,8,14,17(21),18-octaene-3,10,16-trione |
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CAS Registry Number | Not Available |
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SMILES | OC1=CC=C2C3=C(OC4(O)C=CC(=O)C1=C24)C(=O)C1=C(O)C=CC=C1C3=O |
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InChI Identifier | InChI=1S/C20H10O7/c21-10-3-1-2-9-13(10)18(25)19-14(17(9)24)8-4-5-11(22)15-12(23)6-7-20(26,27-19)16(8)15/h1-7,21-22,26H |
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InChI Key | FDUASWSKLRZKHP-UHFFFAOYSA-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 naphthopyranones. Naphthopyranones are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Naphthopyrans |
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Sub Class | Naphthopyranones |
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Direct Parent | Naphthopyranones |
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Alternative Parents | |
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Substituents | - Naphthopyranone
- Naphthoquinone
- Isochromene
- Benzopyran
- Naphthalene
- 2-benzopyran
- Quinone
- Aryl ketone
- 1-hydroxy-4-unsubstituted benzenoid
- Pyranone
- 1-hydroxy-2-unsubstituted benzenoid
- Benzenoid
- Pyran
- Vinylogous acid
- Vinylogous ester
- Ketone
- Hemiacetal
- Oxacycle
- Polyol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- 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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