Record Information |
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Version | 2.0 |
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Created at | 2021-01-05 21:17:50 UTC |
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Updated at | 2021-07-15 17:09:36 UTC |
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NP-MRD ID | NP0011679 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Fomitellanol A |
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Provided By | NPAtlas |
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Description | (1R,2S,14S)-9-hydroxy-5-(hydroxymethyl)-1-methyl-14-(propan-2-yloxy)-13-oxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]Pentadeca-4,6,8,10,12(15)-pentaen-3-one belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. Fomitellanol A is found in Fomitella and Vanderbylia fraxinea. It was first documented in 2012 (PMID: 34383397). Based on a literature review very few articles have been published on (1R,2S,14S)-9-hydroxy-5-(hydroxymethyl)-1-methyl-14-(propan-2-yloxy)-13-oxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]Pentadeca-4,6,8,10,12(15)-pentaen-3-one (PMID: 23571531) (PMID: 34383398) (PMID: 34383396) (PMID: 34384147) (PMID: 34384146) (PMID: 34384145). |
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Structure | [H]OC1=C([H])C([H])=C2O[C@]([H])(OC([H])(C([H])([H])[H])C([H])([H])[H])[C@]3(C2=C1C([H])=C1C(=C([H])C(=O)[C@]31[H])C([H])([H])O[H])C([H])([H])[H] InChI=1S/C19H20O5/c1-9(2)23-18-19(3)16-11(10(8-20)6-14(16)22)7-12-13(21)4-5-15(24-18)17(12)19/h4-7,9,16,18,20-21H,8H2,1-3H3/t16-,18+,19-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H20O5 |
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Average Mass | 328.3640 Da |
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Monoisotopic Mass | 328.13107 Da |
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IUPAC Name | (1R,2S,14S)-9-hydroxy-5-(hydroxymethyl)-1-methyl-14-(propan-2-yloxy)-13-oxatetracyclo[6.6.1.0^{2,6}.0^{12,15}]pentadeca-4,6,8,10,12(15)-pentaen-3-one |
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Traditional Name | (1R,2S,14S)-9-hydroxy-5-(hydroxymethyl)-14-isopropoxy-1-methyl-13-oxatetracyclo[6.6.1.0^{2,6}.0^{12,15}]pentadeca-4,6,8,10,12(15)-pentaen-3-one |
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CAS Registry Number | Not Available |
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SMILES | CC(C)O[C@H]1OC2=C3C(C=C4[C@H](C(=O)C=C4CO)[C@@]13C)=C(O)C=C2 |
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InChI Identifier | InChI=1S/C19H20O5/c1-9(2)23-18-19(3)16-11(10(8-20)6-14(16)22)7-12-13(21)4-5-15(24-18)17(12)19/h4-7,9,16,18,20-21H,8H2,1-3H3/t16-,18+,19-/m1/s1 |
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InChI Key | ORBWSHDOOZYCPR-NZSAHSFTSA-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 naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Naphthalenes |
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Sub Class | Naphthols and derivatives |
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Direct Parent | Naphthols and derivatives |
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Alternative Parents | |
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Substituents | - 1-naphthol
- Coumaran
- 1-hydroxy-2-unsubstituted benzenoid
- Ketone
- Acetal
- Oxacycle
- Organoheterocyclic compound
- Organic oxygen compound
- Primary alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Aldehyde
- 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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