| Record Information |
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| Version | 2.0 |
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| Created at | 2024-05-13 02:05:53 UTC |
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| Updated at | 2026-02-26 05:55:46 UTC |
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| NP-MRD ID | NP0333244 |
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| Natural Product DOI | https://doi.org/10.57994/2580 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Uvarialeptol B |
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| Description | Uvarialeptol B belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Uvarialeptol B was first documented in 2024 (PMID: 38805684). Based on a literature review very few articles have been published on Uvarialeptol B. |
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| Structure | COC1=CC(COC\C(COC(=O)C2=CC=CC=C2)=C/C=C\COC(=O)C2=CC=CC=C2)=C(O)C=C1 InChI=1S/C29H28O7/c1-33-26-15-16-27(30)25(18-26)21-34-19-22(20-36-29(32)24-13-6-3-7-14-24)10-8-9-17-35-28(31)23-11-4-2-5-12-23/h2-16,18,30H,17,19-21H2,1H3/b9-8-,22-10+ |
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| Synonyms | Not Available |
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| Chemical Formula | C29H28O7 |
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| Average Mass | 488.5360 Da |
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| Monoisotopic Mass | 488.18350 Da |
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| IUPAC Name | (2E,4Z)-6-[(E,Z)-benzoyloxy]-2-{[(2-hydroxy-5-methoxyphenyl)methoxy]methyl}hexa-2,4-dien-1-yl benzoate |
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| Traditional Name | (2E,4Z)-6-[(E,Z)-benzoyloxy]-2-{[(2-hydroxy-5-methoxyphenyl)methoxy]methyl}hexa-2,4-dien-1-yl benzoate |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC(COC\C(COC(=O)C2=CC=CC=C2)=C/C=C\COC(=O)C2=CC=CC=C2)=C(O)C=C1 |
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| InChI Identifier | InChI=1S/C29H28O7/c1-33-26-15-16-27(30)25(18-26)21-34-19-22(20-36-29(32)24-13-6-3-7-14-24)10-8-9-17-35-28(31)23-11-4-2-5-12-23/h2-16,18,30H,17,19-21H2,1H3/b9-8-,22-10+ |
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| InChI Key | NGJJUMXSLPJMFJ-UEIBRGDJSA-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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| NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental) | [email protected] | Mae Fah Luang University | Surat Laphookhieo | 2024-05-13 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental) | [email protected] | Mae Fah Luang University | Surat Laphookhieo | 2024-05-13 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental) | [email protected] | Mae Fah Luang University | Surat Laphookhieo | 2024-05-13 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental) | [email protected] | Mae Fah Luang University | Surat Laphookhieo | 2024-05-13 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C3D6O, experimental) | [email protected] | Mae Fah Luang University | Surat Laphookhieo | 2024-05-13 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C3D6O, experimental) | [email protected] | Mae Fah Luang University | Surat Laphookhieo | 2024-05-13 | 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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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 1H NMR Spectrum (1D, 500.0, Acetone-d6, simulated) | [email protected] | Not Available | Not Available | 2026-02-26 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 125.0, Acetone-d6, simulated) | [email protected] | Not Available | Not Available | 2026-02-26 | View Spectrum |
| | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| Uvaria leptopoda | | | | Uvaria leptopoda | | |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Benzoic acids and derivatives |
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| Direct Parent | Benzoic acid esters |
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| Alternative Parents | |
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| Substituents | - Methoxyphenol
- Benzoate ester
- 4-alkoxyphenol
- Benzylether
- Phenoxy compound
- Methoxybenzene
- Phenol ether
- Benzoyl
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Fatty acid ester
- Alkyl aryl ether
- Fatty acyl
- Dicarboxylic acid or derivatives
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Carboxylic acid ester
- Ether
- Dialkyl ether
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic 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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