| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-09 13:01:28 UTC |
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| Updated at | 2022-09-09 13:01:28 UTC |
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| NP-MRD ID | NP0285039 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1r,10r,13s,16s,17z)-16-isopropyl-1,13-dimethyl-2-oxatricyclo[8.8.0.0³,⁸]octadeca-3,5,7,17-tetraen-13-ol |
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| Description | Uvarisesquiterpene A belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (1r,10r,13s,16s,17z)-16-isopropyl-1,13-dimethyl-2-oxatricyclo[8.8.0.0³,⁸]octadeca-3,5,7,17-tetraen-13-ol is found in Uvaria angolensis. Based on a literature review very few articles have been published on Uvarisesquiterpene A. |
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| Structure | CC(C)[C@@H]1CC[C@](C)(O)CC[C@@H]2CC3=CC=CC=C3O[C@@]2(C)\C=C/1 InChI=1S/C22H32O2/c1-16(2)17-9-12-21(3,23)13-11-19-15-18-7-5-6-8-20(18)24-22(19,4)14-10-17/h5-8,10,14,16-17,19,23H,9,11-13,15H2,1-4H3/b14-10-/t17-,19-,21+,22+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C22H32O2 |
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| Average Mass | 328.4960 Da |
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| Monoisotopic Mass | 328.24023 Da |
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| IUPAC Name | (1R,10R,13S,16S,17Z)-1,13-dimethyl-16-(propan-2-yl)-2-oxatricyclo[8.8.0.0^{3,8}]octadeca-3,5,7,17-tetraen-13-ol |
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| Traditional Name | (1R,10R,13S,16S,17Z)-16-isopropyl-1,13-dimethyl-2-oxatricyclo[8.8.0.0^{3,8}]octadeca-3,5,7,17-tetraen-13-ol |
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| CAS Registry Number | Not Available |
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| SMILES | CC(C)[C@@H]1CC[C@](C)(O)CC[C@@H]2CC3=CC=CC=C3O[C@@]2(C)\C=C/1 |
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| InChI Identifier | InChI=1S/C22H32O2/c1-16(2)17-9-12-21(3,23)13-11-19-15-18-7-5-6-8-20(18)24-22(19,4)14-10-17/h5-8,10,14,16-17,19,23H,9,11-13,15H2,1-4H3/b14-10-/t17-,19-,21+,22+/m1/s1 |
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| InChI Key | PHENPXQNEKYPGI-RGLPRHSYSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | 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 sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
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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 | Sesquiterpenoids |
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| Direct Parent | Sesquiterpenoids |
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| Alternative Parents | |
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| Substituents | - Sesquiterpenoid
- 1-benzopyran
- Benzopyran
- Chromane
- Alkyl aryl ether
- Benzenoid
- Tertiary alcohol
- Oxacycle
- Organoheterocyclic compound
- Ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- 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 | |
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