Record Information |
---|
Version | 1.0 |
---|
Created at | 2024-05-08 21:03:29 UTC |
---|
Updated at | 2024-05-10 00:16:58 UTC |
---|
NP-MRD ID | NP0333072 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | ajucampylanoid G |
---|
Description | It was first documented in 2024 (PMID: 38717818). Based on a literature review a significant number of articles have been published on (2S,4'aR,5S,5'R,6'R,8'S,8'aR)-5'-[2-(furan-3-yl)ethyl]-5,5',6',8'a-tetramethyl-octahydro-2'H-spiro[1,4-dioxolane-2,1'-naphthalene]-5,8'-diol (PMID: 38717817) (PMID: 38717816) (PMID: 38717815) (PMID: 38717814). |
---|
Structure | [H][C@]12CCC[C@]3(CO[C@@](C)(O)O3)[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CCC1=COC=C1 InChI=1S/C22H34O5/c1-15-12-18(23)20(3)17(19(15,2)10-7-16-8-11-25-13-16)6-5-9-22(20)14-26-21(4,24)27-22/h8,11,13,15,17-18,23-24H,5-7,9-10,12,14H2,1-4H3/t15-,17-,18+,19+,20+,21-,22+/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C22H34O5 |
---|
Average Mass | 378.5090 Da |
---|
Monoisotopic Mass | 378.24062 Da |
---|
IUPAC Name | (2R,4'aR,5R,5'S,6'R,8'S,8'aS)-5'-[2-(furan-3-yl)ethyl]-5,5',6',8'a-tetramethyl-octahydro-2'H-spiro[1,4-dioxolane-2,1'-naphthalene]-5,8'-diol |
---|
Traditional Name | (2R,4'aR,5R,5'S,6'R,8'S,8'aS)-5'-[2-(furan-3-yl)ethyl]-5,5',6',8'a-tetramethyl-hexahydro-2'H-spiro[1,4-dioxolane-2,1'-naphthalene]-5,8'-diol |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H][C@]12CCC[C@]3(CO[C@@](C)(O)O3)[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CCC1=COC=C1 |
---|
InChI Identifier | InChI=1S/C22H34O5/c1-15-12-18(23)20(3)17(19(15,2)10-7-16-8-11-25-13-16)6-5-9-22(20)14-26-21(4,24)27-22/h8,11,13,15,17-18,23-24H,5-7,9-10,12,14H2,1-4H3/t15-,17-,18+,19+,20+,21-,22+/m1/s1 |
---|
InChI Key | OHUWAKBYRFUZRI-ZPYIRMGQSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
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, 500 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 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, 126 MHz, CDCl3, experimental) | pengsh56@mail2.sysu.edu.cn | Not Available | Not Available | 2024-05-08 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Classification | Not classified |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|
General References | - Nair S, Barker CR, Bird M, Greig DR, Collins C, Painset A, Chattaway M, Pickard D, Larkin L, Gharbia S, Didelot X, Ribeca P: Presence of phage-plasmids in multiple serovars of Salmonella enterica. Microb Genom. 2024 May;10(5). doi: 10.1099/mgen.0.001247. [PubMed:38717818 ]
- Earhart AP, Kulkarni HS: Monocytes - See One Queuing Local Adaptive Immune Responses to Respiratory Viruses. Am J Respir Cell Mol Biol. 2024 May 8. doi: 10.1165/rcmb.2024-0195ED. [PubMed:38717817 ]
- Cruz S, Lu C, Ulloa M, Redding A, Hester J, Jacobs M: Perceptions of Wearable Health Tools Post the COVID-19 Emergency in Low-Income Latin Communities: Qualitative Study. JMIR Mhealth Uhealth. 2024 May 8;12:e50826. doi: 10.2196/50826. [PubMed:38717816 ]
- O'Grady K, Hong S, Putsathit P, George N, Hemphill C, Huntington PG, Korman TM, Kotsanas D, Lahra M, McDougall R, McGlinchey A, Levy A, Moore CV, Nimmo G, Prendergast L, Robson J, Speers DJ, Waring L, Wehrhahn MC, Weldhagen GF, Wilson RM, Riley TV, Knight DR: Defining the phylogenetics and resistome of the major Clostridioides difficile ribotypes circulating in Australia. Microb Genom. 2024 May;10(5). doi: 10.1099/mgen.0.001232. [PubMed:38717815 ]
- Brewster RCL, Wu A, Carroll RW: Open source approaches for pediatric global health technologies. J Med Eng Technol. 2024 May 8:1-5. doi: 10.1080/03091902.2024.2343682. [PubMed:38717814 ]
- Peng X, Tan Q, Zhang Z, Wu D, Xu J, Zhou H, Gu Q: Discovery of neo-Clerodane Diterpenoids from Ajuga campylantha as Neuroprotective Agents against Ferroptosis and Neuroinflammation. J Nat Prod. 2023 Aug 25;86(8):2006-2021. doi: 10.1021/acs.jnatprod.3c00447. Epub 2023 Aug 11. [PubMed:37566645 ]
|
---|