Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 15:47:58 UTC |
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Updated at | 2022-09-12 15:47:58 UTC |
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NP-MRD ID | NP0330442 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 5,6,9,10,11-pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0²,⁷.0⁸,¹³]heptadeca-2(7),3,5,8(13),9,11-hexaen-4-ol |
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Description | 5,6,9,10,11-Pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0²,⁷.0⁸,¹³]Heptadeca-2,4,6,8,10,12-hexaen-4-ol belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. 5,6,9,10,11-pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0²,⁷.0⁸,¹³]heptadeca-2(7),3,5,8(13),9,11-hexaen-4-ol is found in Kadsura coccinea. Based on a literature review very few articles have been published on 5,6,9,10,11-pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0²,⁷.0⁸,¹³]Heptadeca-2,4,6,8,10,12-hexaen-4-ol. |
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Structure | COC1=CC2=C(C(OC)=C1OC)C1=C(C=C(O)C(OC)=C1OC)C1OC2C(C)C1C InChI=1S/C23H28O7/c1-10-11(2)19-13-9-15(25-3)21(27-5)23(29-7)17(13)16-12(18(10)30-19)8-14(24)20(26-4)22(16)28-6/h8-11,18-19,24H,1-7H3 |
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Synonyms | Not Available |
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Chemical Formula | C23H28O7 |
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Average Mass | 416.4700 Da |
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Monoisotopic Mass | 416.18350 Da |
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IUPAC Name | 5,6,9,10,11-pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0^{2,7}.0^{8,13}]heptadeca-2(7),3,5,8,10,12-hexaen-4-ol |
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Traditional Name | 5,6,9,10,11-pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0^{2,7}.0^{8,13}]heptadeca-2(7),3,5,8,10,12-hexaen-4-ol |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC2=C(C(OC)=C1OC)C1=C(C=C(O)C(OC)=C1OC)C1OC2C(C)C1C |
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InChI Identifier | InChI=1S/C23H28O7/c1-10-11(2)19-13-9-15(25-3)21(27-5)23(29-7)17(13)16-12(18(10)30-19)8-14(24)20(26-4)22(16)28-6/h8-11,18-19,24H,1-7H3 |
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InChI Key | WNZPXAXGHBMGPR-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 hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Tannins |
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Sub Class | Hydrolyzable tannins |
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Direct Parent | Hydrolyzable tannins |
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Alternative Parents | |
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Substituents | - Hydrolyzable tannin
- Dibenzocyclooctane lignan
- Dibenzoxepine
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Benzenoid
- Tetrahydrofuran
- Dialkyl ether
- Oxacycle
- Organoheterocyclic compound
- Ether
- Hydrocarbon derivative
- Organic oxygen compound
- Organooxygen 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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