Record Information |
---|
Version | 1.0 |
---|
Created at | 2024-03-21 13:58:40 UTC |
---|
Updated at | 2024-04-24 20:26:56 UTC |
---|
NP-MRD ID | NP0332691 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Anthoteibinene I |
---|
Description | Not Available |
---|
Structure | CC(C)[C@H]1CCC2=COC3=C2C1=C(O)C(C)=C3 InChI=1S/C15H18O2/c1-8(2)11-5-4-10-7-17-12-6-9(3)15(16)14(11)13(10)12/h6-8,11,16H,4-5H2,1-3H3/t11-/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C15H18O2 |
---|
Average Mass | 230.3070 Da |
---|
Monoisotopic Mass | 230.13068 Da |
---|
IUPAC Name | (7R)-10-methyl-7-(propan-2-yl)-2-oxatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraen-9-ol |
---|
Traditional Name | (7R)-7-isopropyl-10-methyl-2-oxatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraen-9-ol |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC(C)[C@H]1CCC2=COC3=C2C1=C(O)C(C)=C3 |
---|
InChI Identifier | InChI=1S/C15H18O2/c1-8(2)11-5-4-10-7-17-12-6-9(3)15(16)14(11)13(10)12/h6-8,11,16H,4-5H2,1-3H3/t11-/m1/s1 |
---|
InChI Key | DZTVSCWBFILMRF-LLVKDONJSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D_ NMR | 1H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | View Spectrum | 1D_ NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | Not Available | University of South Florida | Bill J. Baker | 2024-03-21 | 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 | |
---|