Record Information |
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Version | 2.0 |
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Created at | 2022-09-05 17:57:42 UTC |
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Updated at | 2022-09-05 17:57:42 UTC |
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NP-MRD ID | NP0217574 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | [(2s,5s,8s,8as)-5-(hydroxymethyl)-2,4,8-trimethyl-3,5,6,7,8,8a-hexahydro-1h-azulen-2-yl]methanol |
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Description | 12,15-Dihydroxytremulene belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). [(2s,5s,8s,8as)-5-(hydroxymethyl)-2,4,8-trimethyl-3,5,6,7,8,8a-hexahydro-1h-azulen-2-yl]methanol is found in Phellinus igniarius. It was first documented in 2022 (PMID: 36075691). Based on a literature review a significant number of articles have been published on 12,15-dihydroxytremulene (PMID: 36075690) (PMID: 36075689) (PMID: 36075688) (PMID: 36075687). |
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Structure | C[C@H]1CC[C@H](CO)C(C)=C2C[C@@](C)(CO)C[C@@H]12 InChI=1S/C15H26O2/c1-10-4-5-12(8-16)11(2)14-7-15(3,9-17)6-13(10)14/h10,12-13,16-17H,4-9H2,1-3H3/t10-,12+,13-,15-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H26O2 |
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Average Mass | 238.3710 Da |
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Monoisotopic Mass | 238.19328 Da |
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IUPAC Name | [(2S,3aS,4S,7S)-7-(hydroxymethyl)-2,4,8-trimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-2-yl]methanol |
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Traditional Name | [(2S,5S,8S,8aS)-5-(hydroxymethyl)-2,4,8-trimethyl-3,5,6,7,8,8a-hexahydro-1H-azulen-2-yl]methanol |
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CAS Registry Number | Not Available |
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SMILES | C[C@H]1CC[C@H](CO)C(C)=C2C[C@@](C)(CO)C[C@@H]12 |
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InChI Identifier | InChI=1S/C15H26O2/c1-10-4-5-12(8-16)11(2)14-7-15(3,9-17)6-13(10)14/h10,12-13,16-17H,4-9H2,1-3H3/t10-,12+,13-,15-/m0/s1 |
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InChI Key | MUCSQDHAVMOROR-QJZXMWHDSA-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 primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). |
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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 | Primary alcohols |
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Alternative Parents | |
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Substituents | - Hydrocarbon derivative
- Primary alcohol
- 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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