Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 03:21:13 UTC |
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Updated at | 2021-07-15 16:54:23 UTC |
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NP-MRD ID | NP0006296 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Hirsutenol E |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | Hirsutenol E belongs to the class of organic compounds known as linear triquinanes. These are triquinane with a structure based on a [6.3.0.0^2,6] Undecane carbon skeleton. Hirsutenol E is found in Stereum hirsutum. It was first documented in 2006 (PMID: 16629412). Based on a literature review very few articles have been published on Hirsutenol E (PMID: 28886245). |
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Structure | [H]OC([H])([H])[C@]1(C([H])([H])[H])C([H])([H])[C@@]2([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]([H])([C@]4([H])O[C@]4([H])[C@]3(O[H])C([H])([H])[H])[C@@]2([H])C1([H])[H] InChI=1S/C15H24O3/c1-13(7-16)4-8-5-14(2)10(9(8)6-13)11-12(18-11)15(14,3)17/h8-12,16-17H,4-7H2,1-3H3/t8-,9-,10-,11-,12-,13+,14-,15+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H24O3 |
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Average Mass | 252.3540 Da |
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Monoisotopic Mass | 252.17254 Da |
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IUPAC Name | (1R,2S,4R,6S,8S,9S,10S,12S)-4-(hydroxymethyl)-4,8,9-trimethyl-11-oxatetracyclo[6.4.0.0^{2,6}.0^{10,12}]dodecan-9-ol |
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Traditional Name | (1R,2S,4R,6S,8S,9S,10S,12S)-4-(hydroxymethyl)-4,8,9-trimethyl-11-oxatetracyclo[6.4.0.0^{2,6}.0^{10,12}]dodecan-9-ol |
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CAS Registry Number | Not Available |
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SMILES | C[C@@]1(CO)C[C@H]2C[C@@]3(C)C([C@@H]4O[C@@H]4[C@@]3(C)O)[C@H]2C1 |
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InChI Identifier | InChI=1S/C15H24O3/c1-13(7-16)4-8-5-14(2)10(9(8)6-13)11-12(18-11)15(14,3)17/h8-12,16-17H,4-7H2,1-3H3/t8-,9-,10?,11-,12-,13+,14-,15+/m0/s1 |
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InChI Key | OCHFXMGZTXUYLJ-QQHCZKISSA-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 linear triquinanes. These are triquinane with a structure based on a [6.3.0.0^2,6] Undecane carbon skeleton. |
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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 | Linear triquinanes |
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Alternative Parents | |
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Substituents | - Linear triquinane sesquiterpenoid
- Oxane
- Tertiary alcohol
- Cyclic alcohol
- Oxacycle
- Organoheterocyclic compound
- Ether
- Oxirane
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- 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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