Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 21:08:28 UTC |
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Updated at | 2022-04-28 21:08:28 UTC |
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NP-MRD ID | NP0075937 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Gymnomitr-3(15)-en-4alpha-ol |
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Description | Gymnomitr-3(15)-en-4alpha-ol belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group. (+)-Gymnomitr-3(15)-en-4alpha-ol is found in Reboulia hemisphaerica. Based on a literature review very few articles have been published on Gymnomitr-3(15)-en-4alpha-ol. |
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Structure | C[C@]12C[C@H](C(=C)[C@@H](O)C1)[C@]1(C)CCC[C@]21C InChI=1S/C15H24O/c1-10-11-8-13(2,9-12(10)16)15(4)7-5-6-14(11,15)3/h11-12,16H,1,5-9H2,2-4H3/t11-,12+,13+,14+,15-/m1/s1 |
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Synonyms | Value | Source |
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Gymnomitr-3(15)-en-4a-ol | Generator | Gymnomitr-3(15)-en-4α-ol | Generator |
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Chemical Formula | C15H24O |
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Average Mass | 220.3560 Da |
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Monoisotopic Mass | 220.18272 Da |
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IUPAC Name | (1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.0^{2,6}]undecan-9-ol |
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Traditional Name | (1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.0^{2,6}]undecan-9-ol |
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CAS Registry Number | Not Available |
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SMILES | C[C@]12C[C@H](C(=C)[C@@H](O)C1)[C@]1(C)CCC[C@]21C |
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InChI Identifier | InChI=1S/C15H24O/c1-10-11-8-13(2,9-12(10)16)15(4)7-5-6-14(11,15)3/h11-12,16H,1,5-9H2,2-4H3/t11-,12+,13+,14+,15-/m1/s1 |
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InChI Key | DDWYCTLZQKRVQC-CAEXGNQWSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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 cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Alcohols and polyols |
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Direct Parent | Cyclic alcohols and derivatives |
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Alternative Parents | |
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Substituents | - Cyclic alcohol
- Secondary alcohol
- Hydrocarbon derivative
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic 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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