Record Information |
---|
Version | 1.0 |
---|
Created at | 2021-01-06 04:50:42 UTC |
---|
Updated at | 2021-07-15 17:30:34 UTC |
---|
NP-MRD ID | NP0019286 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Fusarisolin D |
---|
Provided By | NPAtlas |
---|
Description | Fusarisolin D is found in Fusarium and Fusarium solani. It was first documented in 2019 (PMID: 30791608). Based on a literature review very few articles have been published on (2R,3R,8R,10E,12Z)-3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid. |
---|
Structure | [H]OC(=O)[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C(=C(/[H])\C(=C(\[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H] InChI=1S/C18H32O3/c1-6-13(2)11-15(4)12-14(3)9-7-8-10-17(19)16(5)18(20)21/h6,11,14,16-17,19H,7-10,12H2,1-5H3,(H,20,21)/b13-6-,15-11+/t14-,16-,17-/m1/s1 |
---|
Synonyms | Value | Source |
---|
(2R,3R,8R,10E,12Z)-3-Hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoate | Generator |
|
---|
Chemical Formula | C18H32O3 |
---|
Average Mass | 296.4510 Da |
---|
Monoisotopic Mass | 296.23514 Da |
---|
IUPAC Name | (2R,3R,8R,10E,12Z)-3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid |
---|
Traditional Name | (2R,3R,8R,10E,12Z)-3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid |
---|
CAS Registry Number | Not Available |
---|
SMILES | C\C=C(\C)/C=C(\C)C[C@H](C)CCCC[C@@H](O)[C@@H](C)C(O)=O |
---|
InChI Identifier | InChI=1S/C18H32O3/c1-6-13(2)11-15(4)12-14(3)9-7-8-10-17(19)16(5)18(20)21/h6,11,14,16-17,19H,7-10,12H2,1-5H3,(H,20,21)/b13-6-,15-11+/t14-,16-,17-/m1/s1 |
---|
InChI Key | OFEICKOWYHYGFA-RKJHCUITSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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 | |
---|