Record Information |
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Version | 2.0 |
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Created at | 2024-05-08 21:21:13 UTC |
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Updated at | 2024-09-03 04:21:08 UTC |
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NP-MRD ID | NP0333076 |
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Natural Product DOI | https://doi.org/10.57994/2375 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | ajucampylanoid K |
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Description | Ajucampylanoid K belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. ajucampylanoid K was first documented in 2023 (PMID: 37566645). Based on a literature review very few articles have been published on ajucampylanoid K. |
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Structure | [H][C@]12CCCC(=C)[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CCC1=CC(O)OC1=O InChI=1S/C20H30O4/c1-12-6-5-7-15-19(3,13(2)10-16(21)20(12,15)4)9-8-14-11-17(22)24-18(14)23/h11,13,15-17,21-22H,1,5-10H2,2-4H3/t13-,15-,16+,17?,19+,20+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H30O4 |
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Average Mass | 334.4560 Da |
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Monoisotopic Mass | 334.21441 Da |
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IUPAC Name | 3-{2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-1,2,4a-trimethyl-5-methylidene-decahydronaphthalen-1-yl]ethyl}-5-hydroxy-2,5-dihydrofuran-2-one |
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Traditional Name | 3-{2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-1,2,4a-trimethyl-5-methylidene-hexahydro-2H-naphthalen-1-yl]ethyl}-5-hydroxy-5H-furan-2-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12CCCC(=C)[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CCC1=CC(O)OC1=O |
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InChI Identifier | InChI=1S/C20H30O4/c1-12-6-5-7-15-19(3,13(2)10-16(21)20(12,15)4)9-8-14-11-17(22)24-18(14)23/h11,13,15-17,21-22H,1,5-10H2,2-4H3/t13-,15-,16+,17?,19+,20+/m1/s1 |
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InChI Key | GTHAPOWTBHQKLR-HZZOUBRXSA-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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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | 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 | Species Name | Source | Reference |
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campylantha | | |
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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 | - Clerodane diterpenoid
- Diterpenoid
- Diterpene lactone
- Fatty acid ester
- Fatty acyl
- 2-furanone
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Dihydrofuran
- Cyclic alcohol
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic 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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