Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-09-10 01:01:06 UTC |
---|
Updated at | 2022-09-10 01:01:06 UTC |
---|
NP-MRD ID | NP0293155 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (6e,10e)-11-ethyl-7,15-dimethyl-3-methylidenehexadeca-1,6,10,14-tetraene |
---|
Description | (6e,10e)-11-ethyl-7,15-dimethyl-3-methylidenehexadeca-1,6,10,14-tetraene is found in Habrobracon hebetor. |
---|
Structure | CC\C(CCC=C(C)C)=C/CC\C(C)=C\CCC(=C)C=C InChI=1S/C21H34/c1-7-19(5)13-10-14-20(6)15-11-17-21(8-2)16-9-12-18(3)4/h7,12,14,17H,1,5,8-11,13,15-16H2,2-4,6H3/b20-14+,21-17+ |
---|
Synonyms | Not Available |
---|
Chemical Formula | C21H34 |
---|
Average Mass | 286.5030 Da |
---|
Monoisotopic Mass | 286.26605 Da |
---|
IUPAC Name | (6E,10E)-11-ethyl-7,15-dimethyl-3-methylidenehexadeca-1,6,10,14-tetraene |
---|
Traditional Name | (6E,10E)-11-ethyl-7,15-dimethyl-3-methylidenehexadeca-1,6,10,14-tetraene |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC\C(CCC=C(C)C)=C/CC\C(C)=C\CCC(=C)C=C |
---|
InChI Identifier | InChI=1S/C21H34/c1-7-19(5)13-10-14-20(6)15-11-17-21(8-2)16-9-12-18(3)4/h7,12,14,17H,1,5,8-11,13,15-16H2,2-4,6H3/b20-14+,21-17+ |
---|
InChI Key | JSAPHQWMJSFUEE-PQBPFAQHSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| 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 | |
---|