Record Information |
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Version | 2.0 |
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Created at | 2024-02-20 08:00:34 UTC |
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Updated at | 2024-09-03 04:19:29 UTC |
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NP-MRD ID | NP0332519 |
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Natural Product DOI | https://doi.org/10.57994/1774 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-sielboldianin A |
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Description | (+)-Sielboldianin A belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively. Based on a literature review very few articles have been published on (+)-sielboldianin A. |
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Structure | CC1=C(O)C=C(C=C1)[C@@]1(C)CC[C@@H](O1)C(C)(C)O InChI=1S/C15H22O3/c1-10-5-6-11(9-12(10)16)15(4)8-7-13(18-15)14(2,3)17/h5-6,9,13,16-17H,7-8H2,1-4H3/t13-,15-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H22O3 |
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Average Mass | 250.3380 Da |
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Monoisotopic Mass | 250.15689 Da |
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IUPAC Name | 5-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methylphenol |
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Traditional Name | 5-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methylphenol |
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CAS Registry Number | Not Available |
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SMILES | CC1=C(O)C=C(C=C1)[C@@]1(C)CC[C@@H](O1)C(C)(C)O |
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InChI Identifier | InChI=1S/C15H22O3/c1-10-5-6-11(9-12(10)16)15(4)8-7-13(18-15)14(2,3)17/h5-6,9,13,16-17H,7-8H2,1-4H3/t13-,15-/m1/s1 |
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InChI Key | ISLVTUNHTWXYHS-UKRRQHHQSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | xinyan_8339@126.com | Not Available | Not Available | 2024-02-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | xinyan_8339@126.com | Not Available | Not Available | 2024-02-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3OD, experimental) | xinyan_8339@126.com | Not Available | Not Available | 2024-02-20 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Phenols |
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Sub Class | Cresols |
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Direct Parent | Ortho cresols |
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Alternative Parents | |
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Substituents | - O-cresol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Toluene
- Monocyclic benzene moiety
- Tetrahydrofuran
- Tertiary alcohol
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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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