Record Information |
---|
Version | 1.0 |
---|
Created at | 2021-01-05 21:11:52 UTC |
---|
Updated at | 2021-07-15 17:09:15 UTC |
---|
NP-MRD ID | NP0011544 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (+)-(4R,8R)-foedanolide |
---|
Provided By | NPAtlas |
---|
Description | (+)-(4R,8R)-foedanolide is found in Neopestalotiopsis foedans and Pestalotiopsis. It was first documented in 2013 (PMID: 23434873). Based on a literature review very few articles have been published on (+)-(4R,8R)-Foedanolide. |
---|
Structure | [H]C([H])([H])C1=C(C([H])([H])[H])[C@]2(OC(=O)C([H])([H])C2([H])[H])[C@]([H])(C1=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] InChI=1S/C14H20O3/c1-4-5-6-11-13(16)9(2)10(3)14(11)8-7-12(15)17-14/h11H,4-8H2,1-3H3/t11-,14-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C14H20O3 |
---|
Average Mass | 236.3110 Da |
---|
Monoisotopic Mass | 236.14124 Da |
---|
IUPAC Name | (5R,6R)-6-butyl-8,9-dimethyl-1-oxaspiro[4.4]non-8-ene-2,7-dione |
---|
Traditional Name | (5R,6R)-6-butyl-8,9-dimethyl-1-oxaspiro[4.4]non-8-ene-2,7-dione |
---|
CAS Registry Number | Not Available |
---|
SMILES | CCCC[C@H]1C(=O)C(C)=C(C)[C@@]11CCC(=O)O1 |
---|
InChI Identifier | InChI=1S/C14H20O3/c1-4-5-6-11-13(16)9(2)10(3)14(11)8-7-12(15)17-14/h11H,4-8H2,1-3H3/t11-,14-/m0/s1 |
---|
InChI Key | QJDOLYBYQQTQAW-FZMZJTMJSA-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 | |
---|