Record Information |
---|
Version | 1.0 |
---|
Created at | 2023-11-29 04:17:32 UTC |
---|
Updated at | 2024-04-19 10:01:15 UTC |
---|
NP-MRD ID | NP0332151 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Protosappanin F |
---|
Description | Not Available |
---|
Structure | O[C@@H]1C[C@]2(O)CC(=C)CO[C@@]2(C[C@H]1O)C1=CC=C(O)C=C1O InChI=1S/C16H20O6/c1-9-5-15(21)6-13(19)14(20)7-16(15,22-8-9)11-3-2-10(17)4-12(11)18/h2-4,13-14,17-21H,1,5-8H2/t13-,14-,15-,16+/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C16H20O6 |
---|
Average Mass | 308.3300 Da |
---|
Monoisotopic Mass | 308.12599 Da |
---|
IUPAC Name | (4aR,6R,7R,8aS)-8a-(2,4-dihydroxyphenyl)-3-methylidene-octahydro-2H-1-benzopyran-4a,6,7-triol |
---|
Traditional Name | (4aR,6R,7R,8aS)-8a-(2,4-dihydroxyphenyl)-3-methylidene-hexahydro-1-benzopyran-4a,6,7-triol |
---|
CAS Registry Number | Not Available |
---|
SMILES | O[C@@H]1C[C@]2(O)CC(=C)CO[C@@]2(C[C@H]1O)C1=CC=C(O)C=C1O |
---|
InChI Identifier | InChI=1S/C16H20O6/c1-9-5-15(21)6-13(19)14(20)7-16(15,22-8-9)11-3-2-10(17)4-12(11)18/h2-4,13-14,17-21H,1,5-8H2/t13-,14-,15-,16+/m1/s1 |
---|
InChI Key | UEHJUXZNXOJMQU-FPCVCCKLSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C2D6OS, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | DEPT NMR | [13C, 1H] NMR Spectrum (2D, 151 MHz, C2D6OS, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Not Available |
---|
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 | |
---|