| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-06 18:43:44 UTC |
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| Updated at | 2022-09-06 18:43:44 UTC |
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| NP-MRD ID | NP0235953 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1s,5r,6r,7r,8s)-7-(2h-1,3-benzodioxol-5-yl)-8-hydroxy-5-methoxy-6-methyl-3-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-en-2-one |
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| Description | (1S,5R,6R,7R,8S)-7-(2H-1,3-benzodioxol-5-yl)-8-hydroxy-5-methoxy-6-methyl-3-(prop-2-en-1-yl)bicyclo[3.2.1]Oct-3-en-2-one belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. (1s,5r,6r,7r,8s)-7-(2h-1,3-benzodioxol-5-yl)-8-hydroxy-5-methoxy-6-methyl-3-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-en-2-one is found in Ocotea macrophylla. Based on a literature review very few articles have been published on (1S,5R,6R,7R,8S)-7-(2H-1,3-benzodioxol-5-yl)-8-hydroxy-5-methoxy-6-methyl-3-(prop-2-en-1-yl)bicyclo[3.2.1]Oct-3-en-2-one. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C20H22O5 |
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| Average Mass | 342.3910 Da |
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| Monoisotopic Mass | 342.14672 Da |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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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 | ARFBOYDNJXQGTO-DTPVGKJESA-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 benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Benzodioxoles |
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| Sub Class | Not Available |
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| Direct Parent | Benzodioxoles |
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| Alternative Parents | |
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| Substituents | - Benzodioxole
- Cyclohexenone
- Benzenoid
- Cyclic alcohol
- Ketone
- Secondary alcohol
- Acetal
- Dialkyl ether
- Ether
- Oxacycle
- Alcohol
- Organic oxide
- Carbonyl group
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxygen 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 | Not Available |
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