| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-29 00:34:29 UTC |
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| Updated at | 2022-04-29 00:34:29 UTC |
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| NP-MRD ID | NP0079562 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (+)-Muricatetrocin C |
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| Description | (5S)-3-[(2R)-2-hydroxy-9-[(2R,5S)-5-[(1S,4R,5S)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-5-methyl-2,5-dihydrofuran-2-one belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. (+)-Muricatetrocin C is found in Rollinia mucosa . Based on a literature review very few articles have been published on (5S)-3-[(2R)-2-hydroxy-9-[(2R,5S)-5-[(1S,4R,5S)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-5-methyl-2,5-dihydrofuran-2-one. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C35H64O7 |
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| Average Mass | 596.8900 Da |
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| Monoisotopic Mass | 596.46520 Da |
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| IUPAC Name | (5S)-3-[(2R)-2-hydroxy-9-[(2R,5S)-5-[(1S,4R,5S)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-5-methyl-2,5-dihydrofuran-2-one |
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| Traditional Name | (5S)-3-[(2R)-2-hydroxy-9-[(2R,5S)-5-[(1S,4R,5S)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-5-methyl-5H-furan-2-one |
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| CAS Registry Number | Not Available |
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| SMILES | Not Available |
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| InChI Identifier | Not Available |
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| InChI Key | YPSCFXUHUJPNHJ-RLWOUWICSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | 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 annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Fatty alcohols |
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| Direct Parent | Annonaceous acetogenins |
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| Alternative Parents | |
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| Substituents | - Annonaceae acetogenin skeleton
- Long chain fatty alcohol
- 2-furanone
- Dihydrofuran
- Oxolane
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Carboxylic acid ester
- Lactone
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Oxacycle
- Ether
- Dialkyl ether
- Carboxylic acid derivative
- Organoheterocyclic compound
- Polyol
- Organooxygen compound
- Hydrocarbon derivative
- Alcohol
- Carbonyl group
- Organic oxide
- Organic oxygen compound
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic 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 | Not Available |
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