Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-09-06 22:42:34 UTC |
---|
Updated at | 2022-09-06 22:42:35 UTC |
---|
NP-MRD ID | NP0239177 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | n-(5-dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidic acid |
---|
Description | N-(5-dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidic acid belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. n-(5-dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidic acid is found in Suillus luteus. Based on a literature review very few articles have been published on N-(5-dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidic acid. |
---|
Structure | CCCCCCCCCCCCCCCC(O)C(O)=NC1COC(CCCCCCCCCCCC)C1O InChI=1S/C33H65NO4/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-30(35)33(37)34-29-28-38-31(32(29)36)27-25-23-21-19-14-12-10-8-6-4-2/h29-32,35-36H,3-28H2,1-2H3,(H,34,37) |
---|
Synonyms | Value | Source |
---|
N-(5-Dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidate | Generator |
|
---|
Chemical Formula | C33H65NO4 |
---|
Average Mass | 539.8860 Da |
---|
Monoisotopic Mass | 539.49136 Da |
---|
IUPAC Name | N-(5-dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidic acid |
---|
Traditional Name | N-(5-dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidic acid |
---|
CAS Registry Number | Not Available |
---|
SMILES | CCCCCCCCCCCCCCCC(O)C(O)=NC1COC(CCCCCCCCCCCC)C1O |
---|
InChI Identifier | InChI=1S/C33H65NO4/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-30(35)33(37)34-29-28-38-31(32(29)36)27-25-23-21-19-14-12-10-8-6-4-2/h29-32,35-36H,3-28H2,1-2H3,(H,34,37) |
---|
InChI Key | UUGJJZZJDCJMBY-UHFFFAOYSA-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 |
| Show more...
---|
Chemical Shift Submissions |
---|
|
| Not Available |
---|
Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Carbohydrates and carbohydrate conjugates |
---|
Direct Parent | Pentoses |
---|
Alternative Parents | |
---|
Substituents | - Pentose monosaccharide
- Fatty amide
- N-acyl-amine
- Fatty acyl
- Oxolane
- Secondary carboxylic acid amide
- Secondary alcohol
- Carboxamide group
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Carboxylic acid derivative
- Oxacycle
- Hydrocarbon derivative
- Alcohol
- Organonitrogen compound
- Organic oxide
- Organic nitrogen compound
- Carbonyl group
- Aliphatic heteromonocyclic compound
|
---|
Molecular Framework | Aliphatic heteromonocyclic compounds |
---|
External Descriptors | Not Available |
---|
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 | |
---|