Record Information |
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Version | 2.0 |
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Created at | 2024-04-20 02:07:36 UTC |
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Updated at | 2024-11-01 00:35:13 UTC |
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NP-MRD ID | NP0332805 |
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Natural Product DOI | https://doi.org/10.57994/2076 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Trichophenol F |
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Description | Trichophenol F 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. Based on a literature review very few articles have been published on Trichophenol F. |
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Structure | C[C@H](C(C)=O)C1=CC(O)=C(CC2=C3OC(C)(O)CC(=O)C3=C(O)C3=C(O)C=C(O)C=C23)C(O)=C1C=O InChI=1S/C26H24O10/c1-10(11(2)28)13-7-18(30)16(23(33)17(13)9-27)6-15-14-4-12(29)5-19(31)21(14)24(34)22-20(32)8-26(3,35)36-25(15)22/h4-5,7,9-10,29-31,33-35H,6,8H2,1-3H3/t10-,26?/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C26H24O10 |
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Average Mass | 496.4680 Da |
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Monoisotopic Mass | 496.13695 Da |
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IUPAC Name | 2,4-dihydroxy-6-[(2S)-3-oxobutan-2-yl]-3-({2,5,6,8-tetrahydroxy-2-methyl-4-oxo-2H,3H,4H-naphtho[2,3-b]pyran-10-yl}methyl)benzaldehyde |
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Traditional Name | 2,4-dihydroxy-6-[(2S)-3-oxobutan-2-yl]-3-({2,5,6,8-tetrahydroxy-2-methyl-4-oxo-3H-naphtho[2,3-b]pyran-10-yl}methyl)benzaldehyde |
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CAS Registry Number | Not Available |
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SMILES | C[C@H](C(C)=O)C1=CC(O)=C(CC2=C3OC(C)(O)CC(=O)C3=C(O)C3=C(O)C=C(O)C=C23)C(O)=C1C=O |
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InChI Identifier | InChI=1S/C26H24O10/c1-10(11(2)28)13-7-18(30)16(23(33)17(13)9-27)6-15-14-4-12(29)5-19(31)21(14)24(34)22-20(32)8-26(3,35)36-25(15)22/h4-5,7,9-10,29-31,33-35H,6,8H2,1-3H3/t10-,26?/m1/s1 |
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InChI Key | GHEWNKXOCJZYJS-HSAUOIESSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | chgdtong@163.com | Jinan University | Guo-Dong Chen | 2024-04-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | chgdtong@163.com | Jinan University | Guo-Dong Chen | 2024-04-20 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 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 | This compound belongs to the class of organic compounds known as naphthopyranones. These 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 | - Farsesane sesquiterpenoid
- Sesquiterpenoid
- Naphthopyranone
- Benzochromone
- 1-naphthol
- 2-naphthol
- Chromone
- 1-benzopyran
- Naphthalene
- Benzopyran
- Chromane
- P-cymene
- Hydroxybenzaldehyde
- Phenylpropane
- Aryl alkyl ketone
- Aryl ketone
- Benzoyl
- Benzaldehyde
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- B'-hydroxy-alpha,beta-unsaturated-ketone
- Aryl-aldehyde
- Pyranone
- Phenol
- Alpha-branched alpha,beta-unsaturated-ketone
- Benzenoid
- Pyran
- Oxane
- Hemiketal
- Beta-hydroxy ketone
- Monocyclic benzene moiety
- Vinylogous acid
- Alpha,beta-unsaturated ketone
- Enone
- Acryloyl-group
- Ketone
- Oxacycle
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- 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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