Record Information |
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Version | 2.0 |
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Created at | 2020-12-09 06:43:56 UTC |
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Updated at | 2021-07-15 17:02:55 UTC |
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NP-MRD ID | NP0009315 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (-)-(2S,3S,4S,6S,7S)-tremul-1(10)-ene-4,11,12-triol |
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Provided By | NPAtlas |
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Description | (-)-(2S,3S,4S,6S,7S)-tremul-1(10)-ene-4,11,12-triol is found in Phellinus igniarius. It was first documented in 2010 (PMID: 20583752). Based on a literature review very few articles have been published on (4S,5S,6S,8S,8aS)-4,5-bis(hydroxymethyl)-2,2,8-trimethyl-1,2,4,5,6,7,8,8a-octahydroazulen-6-ol. |
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Structure | [H]OC([H])([H])[C@]1([H])C2=C([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]2([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])[C@]1([H])C([H])([H])O[H] InChI=1S/C15H26O3/c1-9-4-14(18)13(8-17)12(7-16)11-6-15(2,3)5-10(9)11/h6,9-10,12-14,16-18H,4-5,7-8H2,1-3H3/t9-,10-,12+,13+,14-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H26O3 |
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Average Mass | 254.3700 Da |
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Monoisotopic Mass | 254.18819 Da |
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IUPAC Name | (4S,5S,6S,8S,8aS)-4,5-bis(hydroxymethyl)-2,2,8-trimethyl-1,2,4,5,6,7,8,8a-octahydroazulen-6-ol |
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Traditional Name | (4S,5S,6S,8S,8aS)-4,5-bis(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-6-ol |
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CAS Registry Number | Not Available |
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SMILES | C[C@H]1C[C@H](O)[C@H](CO)[C@H](CO)C2=CC(C)(C)C[C@@H]12 |
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InChI Identifier | InChI=1S/C15H26O3/c1-9-4-14(18)13(8-17)12(7-16)11-6-15(2,3)5-10(9)11/h6,9-10,12-14,16-18H,4-5,7-8H2,1-3H3/t9-,10-,12+,13+,14-/m0/s1 |
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InChI Key | ICVPRJWKJDJJOV-YRASXDPISA-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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Classification | Not classified |
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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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