Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-09-12 06:08:00 UTC |
---|
Updated at | 2022-09-12 06:08:01 UTC |
---|
NP-MRD ID | NP0325399 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (2s,3r,4s)-3,4-dihydroxy-6-methoxy-7-methylidene-2-[(1e,3e)-penta-1,3-dien-1-yl]-2h,3h,4h-pyrano[2,3-c]pyrrol-5-one |
---|
Description | Curvupallide B belongs to the class of organic compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms. (2s,3r,4s)-3,4-dihydroxy-6-methoxy-7-methylidene-2-[(1e,3e)-penta-1,3-dien-1-yl]-2h,3h,4h-pyrano[2,3-c]pyrrol-5-one is found in Curvularia pallescens. Based on a literature review very few articles have been published on Curvupallide B. |
---|
Structure | CON1C(=C)C2=C([C@H](O)[C@@H](O)[C@@H](O2)\C=C\C=C\C)C1=O InChI=1S/C14H17NO5/c1-4-5-6-7-9-11(16)12(17)10-13(20-9)8(2)15(19-3)14(10)18/h4-7,9,11-12,16-17H,2H2,1,3H3/b5-4+,7-6+/t9-,11-,12-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C14H17NO5 |
---|
Average Mass | 279.2920 Da |
---|
Monoisotopic Mass | 279.11067 Da |
---|
IUPAC Name | (2S,3R,4S)-3,4-dihydroxy-6-methoxy-7-methylidene-2-[(1E,3E)-penta-1,3-dien-1-yl]-2H,3H,4H,5H,6H,7H-pyrano[2,3-c]pyrrol-5-one |
---|
Traditional Name | (2S,3R,4S)-3,4-dihydroxy-6-methoxy-7-methylidene-2-[(1E,3E)-penta-1,3-dien-1-yl]-2H,3H,4H-pyrano[2,3-c]pyrrol-5-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | CON1C(=C)C2=C([C@H](O)[C@@H](O)[C@@H](O2)\C=C\C=C\C)C1=O |
---|
InChI Identifier | InChI=1S/C14H17NO5/c1-4-5-6-7-9-11(16)12(17)10-13(20-9)8(2)15(19-3)14(10)18/h4-7,9,11-12,16-17H,2H2,1,3H3/b5-4+,7-6+/t9-,11-,12-/m0/s1 |
---|
InChI Key | MCGMBKWXTCCVNV-CNLWIZLKSA-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 |
---|
Description | Belongs to the class of organic compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Pyrrolines |
---|
Sub Class | Not Available |
---|
Direct Parent | Pyrrolines |
---|
Alternative Parents | |
---|
Substituents | - Pyrroline
- Vinylogous ester
- 1,2-diol
- Secondary alcohol
- Carboxylic acid derivative
- Azacycle
- Oxacycle
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Carbonyl group
- Hydrocarbon derivative
- Alcohol
- Aliphatic heteropolycyclic compound
|
---|
Molecular Framework | Aliphatic heteropolycyclic 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 | |
---|