| Record Information |
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| Version | 2.0 |
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| Created at | 2021-06-19 18:20:47 UTC |
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| Updated at | 2021-06-29 23:52:02 UTC |
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| NP-MRD ID | NP0026483 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1R*)-Minwanenone |
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| Provided By | JEOL Database |
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| Description | (1R*)-Minwanenone is found in Illicium minwanense. (1R*)-Minwanenone was first documented in 2003 (Yokoyama, R., et al.). Based on a literature review very few articles have been published on (1R)-Minwanenone. |
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| Structure | [H]OC([H])([H])[C@]1(C2=C([H])C(=O)[C@]([H])(C([H])([H])[H])[C@@]22C([H])([H])C(=O)O[C@]([H])(C2([H])[H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C15H20O4/c1-8-10(17)4-12-14(3,7-16)9(2)11-5-15(8,12)6-13(18)19-11/h4,8-9,11,16H,5-7H2,1-3H3/t8-,9+,11+,14+,15+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C15H20O4 |
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| Average Mass | 264.3210 Da |
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| Monoisotopic Mass | 264.13616 Da |
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| IUPAC Name | (1R,2R,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.0^{1,5}]dodec-4-ene-3,10-dione |
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| Traditional Name | (1R,2R,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.0^{1,5}]dodec-4-ene-3,10-dione |
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| CAS Registry Number | Not Available |
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| SMILES | [H]OC([H])([H])[C@]1(C2=C([H])C(=O)[C@]([H])(C([H])([H])[H])[C@@]22C([H])([H])C(=O)O[C@]([H])(C2([H])[H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H] |
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| InChI Identifier | InChI=1S/C15H20O4/c1-8-10(17)4-12-14(3,7-16)9(2)11-5-15(8,12)6-13(18)19-11/h4,8-9,11,16H,5-7H2,1-3H3/t8-,9+,11+,14+,15+/m0/s1 |
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| InChI Key | OZYHJADBOXHPLS-CPWYHZLMSA-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, 600 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | 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 | | Species Name | Source | Reference |
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| Illicium minwanense | JEOL database | - Yokoyama, R., et al, J. Nat. Prod. 66, 799 (2003)
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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
- Sesquiterpenoid
- Prezizaane sesquiterpenoid
- Delta valerolactone
- Delta_valerolactone
- Oxane
- Carboxylic acid ester
- Ketone
- Lactone
- Cyclic ketone
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Oxacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Aldehyde
- Organic oxygen compound
- Alcohol
- Primary alcohol
- Carbonyl group
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic 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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