Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-12 16:53:09 UTC |
---|
Updated at | 2022-09-12 16:53:09 UTC |
---|
NP-MRD ID | NP0330992 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (1s,2r)-2-hydroxy-1-tetradecylpropane-1,2,3-tricarboxylic acid |
---|
Description | (1s,2r)-2-hydroxy-1-tetradecylpropane-1,2,3-tricarboxylic acid is found in Pycnoporellus fulgens. Based on a literature review very few articles have been published on (1S,2R)-2-hydroxy-1-tetradecylpropane-1,2,3-tricarboxylic acid. |
---|
Structure | CCCCCCCCCCCCCC[C@H](C(O)=O)[C@](O)(CC(O)=O)C(O)=O InChI=1S/C20H36O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18(23)24)20(27,19(25)26)15-17(21)22/h16,27H,2-15H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t16-,20-/m1/s1 |
---|
Synonyms | Value | Source |
---|
(1S,2R)-2-Hydroxy-1-tetradecylpropane-1,2,3-tricarboxylate | Generator |
|
---|
Chemical Formula | C20H36O7 |
---|
Average Mass | 388.5010 Da |
---|
Monoisotopic Mass | 388.24610 Da |
---|
IUPAC Name | (1S,2R)-2-hydroxy-1-tetradecylpropane-1,2,3-tricarboxylic acid |
---|
Traditional Name | (1S,2R)-2-hydroxy-1-tetradecylpropane-1,2,3-tricarboxylic acid |
---|
CAS Registry Number | Not Available |
---|
SMILES | CCCCCCCCCCCCCC[C@H](C(O)=O)[C@](O)(CC(O)=O)C(O)=O |
---|
InChI Identifier | InChI=1S/C20H36O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18(23)24)20(27,19(25)26)15-17(21)22/h16,27H,2-15H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t16-,20-/m1/s1 |
---|
InChI Key | ABKLOAXZFTXYAG-OXQOHEQNSA-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 | |
---|