Record Information |
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Version | 2.0 |
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Created at | 2022-09-04 02:24:26 UTC |
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Updated at | 2022-09-04 02:24:26 UTC |
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NP-MRD ID | NP0186521 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (11s,16s)-2,13,13,16-tetramethyl-6,12,14-trioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),2,8-trien-7-one |
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Description | Applanatine D belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position. (11s,16s)-2,13,13,16-tetramethyl-6,12,14-trioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),2,8-trien-7-one is found in Ganoderma applanatum. It was first documented in 2022 (PMID: 36057849). Based on a literature review a significant number of articles have been published on Applanatine D (PMID: 36057799) (PMID: 36057787) (PMID: 36057768) (PMID: 36057757) (PMID: 36057673) (PMID: 36057728). |
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Structure | CC1=C2CCOC(=O)C2=CC2=C1C[C@@]1(C)COC(C)(C)O[C@@H]21 InChI=1S/C18H22O4/c1-10-11-5-6-20-16(19)13(11)7-12-14(10)8-18(4)9-21-17(2,3)22-15(12)18/h7,15H,5-6,8-9H2,1-4H3/t15-,18-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C18H22O4 |
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Average Mass | 302.3700 Da |
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Monoisotopic Mass | 302.15181 Da |
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IUPAC Name | (11S,16S)-2,13,13,16-tetramethyl-6,12,14-trioxatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1,3(8),9-trien-7-one |
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Traditional Name | (11S,16S)-2,13,13,16-tetramethyl-6,12,14-trioxatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1,3(8),9-trien-7-one |
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CAS Registry Number | Not Available |
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SMILES | CC1=C2CCOC(=O)C2=CC2=C1C[C@@]1(C)COC(C)(C)O[C@@H]21 |
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InChI Identifier | InChI=1S/C18H22O4/c1-10-11-5-6-20-16(19)13(11)7-12-14(10)8-18(4)9-21-17(2,3)22-15(12)18/h7,15H,5-6,8-9H2,1-4H3/t15-,18-/m0/s1 |
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InChI Key | RLJNNMVBYZTJLR-YJBOKZPZSA-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 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Benzopyrans |
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Sub Class | 2-benzopyrans |
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Direct Parent | 2-benzopyrans |
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Alternative Parents | |
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Substituents | - 2-benzopyran
- Indane
- Ketal
- Meta-dioxane
- Benzenoid
- Carboxylic acid ester
- Lactone
- Acetal
- Carboxylic acid derivative
- Oxacycle
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- 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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