Record Information |
---|
Version | 2.0 |
---|
Created at | 2024-05-08 21:03:29 UTC |
---|
Updated at | 2024-09-03 04:21:07 UTC |
---|
NP-MRD ID | NP0333072 |
---|
Natural Product DOI | https://doi.org/10.57994/2371 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | ajucampylanoid G |
---|
Description | ajucampylanoid G was first documented in 2023 (PMID: 37566645). Based on a literature review very few articles have been published on ajucampylanoid G. |
---|
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 |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Species Name | Source | Reference |
---|
campylantha | | |
|
---|
Chemical Taxonomy |
---|
Description | This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Diterpenoids |
---|
Direct Parent | Diterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Diterpenoid
- Heteroaromatic compound
- Furan
- Cyclic alcohol
- Meta-dioxolane
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
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 | |
---|