Record Information |
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Version | 2.0 |
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Created at | 2023-10-14 04:05:18 UTC |
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Updated at | 2024-09-03 04:17:35 UTC |
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NP-MRD ID | NP0331978 |
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Natural Product DOI | https://doi.org/10.57994/1097 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Scytalpolyol C |
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Description | Scytalpolyol C belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. Based on a literature review very few articles have been published on Scytalpolyol C. |
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Structure | [H]C(=O)C(\C)=C\[C@H](C)[C@H](O)C(\C)=C\[C@H](C)[C@H](O)C(\C)=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)CC InChI=1S/C26H46O5/c1-10-16(3)25(30)22(9)26(31)21(8)13-20(7)24(29)19(6)12-18(5)23(28)17(4)11-15(2)14-27/h11-14,16-17,19,21-26,28-31H,10H2,1-9H3/b15-11+,18-12+,20-13+/t16-,17-,19-,21-,22-,23-,24-,25-,26-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C26H46O5 |
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Average Mass | 438.6490 Da |
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Monoisotopic Mass | 438.33452 Da |
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IUPAC Name | (2E,4S,5S,6E,8S,9S,10E,12S,13S,14S,15S,16S)-5,9,13,15-tetrahydroxy-2,4,6,8,10,12,14,16-octamethyloctadeca-2,6,10-trienal |
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Traditional Name | (2E,4S,5S,6E,8S,9S,10E,12S,13S,14S,15S,16S)-5,9,13,15-tetrahydroxy-2,4,6,8,10,12,14,16-octamethyloctadeca-2,6,10-trienal |
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CAS Registry Number | Not Available |
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SMILES | [H]C(=O)C(\C)=C\[C@H](C)[C@H](O)C(\C)=C\[C@H](C)[C@H](O)C(\C)=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)CC |
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InChI Identifier | InChI=1S/C26H46O5/c1-10-16(3)25(30)22(9)26(31)21(8)13-20(7)24(29)19(6)12-18(5)23(28)17(4)11-15(2)14-27/h11-14,16-17,19,21-26,28-31H,10H2,1-9H3/b15-11+,18-12+,20-13+/t16-,17-,19-,21-,22-,23-,24-,25-,26-/m0/s1 |
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InChI Key | MGXDGPSNTNUBFJ-OYUBUHTBSA-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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NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | jrivera@iquimica.unam.mx | Not Available | Not Available | 2023-10-14 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | jrivera@iquimica.unam.mx | Not Available | Not Available | 2023-10-14 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | jrivera@iquimica.unam.mx | Not Available | Not Available | 2023-10-14 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | jrivera@iquimica.unam.mx | Not Available | Not Available | 2023-10-14 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | jrivera@iquimica.unam.mx | Not Available | Not Available | 2023-10-14 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | jrivera@iquimica.unam.mx | Not Available | Not Available | 2023-10-14 | 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 | This compound belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. |
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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 | Diterpenoids |
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Direct Parent | Acyclic diterpenoids |
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Alternative Parents | |
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Substituents | - Acyclic diterpenoid
- Fatty aldehyde
- Fatty acyl
- Enal
- Alpha,beta-unsaturated aldehyde
- Secondary alcohol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Alcohol
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic 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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