Record Information |
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Version | 2.0 |
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Created at | 2023-09-27 04:00:59 UTC |
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Updated at | 2024-09-03 04:17:18 UTC |
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NP-MRD ID | NP0331885 |
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Natural Product DOI | https://doi.org/10.57994/0991 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | sartorypyrone F |
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Description | Sartorypyrone F belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Based on a literature review very few articles have been published on sartorypyrone F. |
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Structure | C\C(CCC1C(=C)CCC2C(C)(C)[C@@H](O)CC[C@]12C)=C/CC1=C(O)C=C(C)OC1=O InChI=1S/C26H38O4/c1-16(7-10-19-21(27)15-18(3)30-24(19)29)8-11-20-17(2)9-12-22-25(4,5)23(28)13-14-26(20,22)6/h7,15,20,22-23,27-28H,2,8-14H2,1,3-6H3/b16-7+/t20?,22?,23-,26+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C26H38O4 |
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Average Mass | 414.5860 Da |
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Monoisotopic Mass | 414.27701 Da |
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IUPAC Name | 3-[(2E)-5-[(6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]-4-hydroxy-6-methyl-2H-pyran-2-one |
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Traditional Name | 3-[(2E)-5-[(6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-yl]-4-hydroxy-6-methylpyran-2-one |
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CAS Registry Number | Not Available |
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SMILES | C\C(CCC1C(=C)CCC2C(C)(C)[C@@H](O)CC[C@]12C)=C/CC1=C(O)C=C(C)OC1=O |
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InChI Identifier | InChI=1S/C26H38O4/c1-16(7-10-19-21(27)15-18(3)30-24(19)29)8-11-20-17(2)9-12-22-25(4,5)23(28)13-14-26(20,22)6/h7,15,20,22-23,27-28H,2,8-14H2,1,3-6H3/b16-7+/t20?,22?,23-,26+/m0/s1 |
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InChI Key | UCQLZQQYQRWQRU-JRUXTDALSA-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, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C3D6O, experimental) | shuyilin@usc.edu | Not Available | Not Available | 2023-09-27 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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 diterpene lactones. These are diterpenoids containing a lactone moiety. |
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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 | Terpene lactones |
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Direct Parent | Diterpene lactones |
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Alternative Parents | |
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Substituents | - Diterpenoid
- Labdane diterpenoid
- Diterpene lactone
- Pyranone
- Fatty acid ester
- Fatty acyl
- Pyran
- Heteroaromatic compound
- Vinylogous acid
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Enol ester
- Cyclic alcohol
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- 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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