| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2022-09-09 10:38:22 UTC |
|---|
| Updated at | 2022-09-09 10:38:23 UTC |
|---|
| NP-MRD ID | NP0283394 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | (1e,3z,6r,7s,8r)-6-[2-(furan-3-yl)ethyl]-8-hydroxy-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylic acid |
|---|
| Description | Not Available |
|---|
| Structure | C[C@@H]1[C@H](O)CC(=C)\C(=C/C=C\C[C@@]1(C)CCC1=COC=C1)C(O)=O InChI=1S/C20H26O4/c1-14-12-18(21)15(2)20(3,10-7-16-8-11-24-13-16)9-5-4-6-17(14)19(22)23/h4-6,8,11,13,15,18,21H,1,7,9-10,12H2,2-3H3,(H,22,23)/b5-4-,17-6+/t15-,18-,20+/m1/s1 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C20H26O4 |
|---|
| Average Mass | 330.4240 Da |
|---|
| Monoisotopic Mass | 330.18311 Da |
|---|
| IUPAC Name | (1E,3Z,6R,7S,8R)-6-[2-(furan-3-yl)ethyl]-8-hydroxy-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylic acid |
|---|
| Traditional Name | (1E,3Z,6R,7S,8R)-6-[2-(furan-3-yl)ethyl]-8-hydroxy-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylic acid |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | C[C@@H]1[C@H](O)CC(=C)\C(=C/C=C\C[C@@]1(C)CCC1=COC=C1)C(O)=O |
|---|
| InChI Identifier | InChI=1S/C20H26O4/c1-14-12-18(21)15(2)20(3,10-7-16-8-11-24-13-16)9-5-4-6-17(14)19(22)23/h4-6,8,11,13,15,18,21H,1,7,9-10,12H2,2-3H3,(H,22,23)/b5-4-,17-6+/t15-,18-,20+/m1/s1 |
|---|
| InChI Key | JWDPFPISPHBQDH-MGMTXSSWSA-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 | 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 | |
|---|