| Record Information |
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| Version | 2.0 |
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| Created at | 2021-06-22 17:24:58 UTC |
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| Updated at | 2026-02-06 16:00:45 UTC |
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| NP-MRD ID | NP0043835 |
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| Natural Product DOI | https://doi.org/10.57994/5539 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Agarsenolide 2b |
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| Description | (1R,8R)-1,5,8-trimethyl-1H,2H,6H,7H,8H,9H-naphtho[2,1-b]furan-2,6-dione belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Agarsenolide 2b was first documented in 2013 (PMID: 23844767). Based on a literature review very few articles have been published on (1R,8R)-1,5,8-trimethyl-1H,2H,6H,7H,8H,9H-naphtho[2,1-b]furan-2,6-dione. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C15H16O3 |
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| Average Mass | 244.2900 Da |
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| Monoisotopic Mass | 244.10994 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 | InChI=1S/C15H16O3/c1-7-4-10-13(11(16)5-7)8(2)6-12-14(10)9(3)15(17)18-12/h6-7,9H,4-5H2,1-3H3/t7-,9-/m1/s1 |
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| InChI Key | XTJMKOJOAUPWMV-VXNVDRBHSA-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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| | Predicted Spectra |
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| Not Available | | 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, 400.0, Chloroform-d, simulated) | [email protected] | Not Available | Not Available | 2026-02-06 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 100.0, Chloroform-d, simulated) | [email protected] | Not Available | Not Available | 2026-02-06 | View Spectrum |
| | 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 terpene lactones. These are prenol lipids containing a lactone ring. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Terpene lactones |
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| Direct Parent | Terpene lactones |
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| Alternative Parents | |
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| Substituents | - Terpene lactone
- Cadinane sesquiterpenoid
- Sesquiterpenoid
- Naphthofuran
- Tetralin
- Benzofuran
- Coumaran
- Aryl alkyl ketone
- Aryl ketone
- Benzenoid
- Carboxylic acid ester
- Ketone
- Lactone
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Oxacycle
- Organoheterocyclic compound
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Aldehyde
- Carbonyl group
- Hydrocarbon derivative
- 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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