Record Information |
---|
Version | 2.0 |
---|
Created at | 2021-01-06 01:05:17 UTC |
---|
Updated at | 2021-07-15 17:21:27 UTC |
---|
NP-MRD ID | NP0015980 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Spiroapplanatumine E |
---|
Provided By | NPAtlas |
---|
Description | Spiroapplanatumine E is found in Ganoderma applanatum. It was first documented in 2017 (PMID: 27996259). Based on a literature review very few articles have been published on Spiroapplanatumine E. |
---|
Structure | [H]OC(=O)[C@]1([H])C([H])([H])C([H])([H])C([H])=C(C(=O)OC([H])([H])[H])C([H])([H])[C@]11OC2=C([H])C([H])=C(O[H])C([H])=C2C1=O InChI=1S/C17H16O7/c1-23-16(22)9-3-2-4-12(15(20)21)17(8-9)14(19)11-7-10(18)5-6-13(11)24-17/h3,5-7,12,18H,2,4,8H2,1H3,(H,20,21)/t12-,17-/m0/s1 |
---|
Synonyms | Value | Source |
---|
(2S,7'r)-5-Hydroxy-3'-(methoxycarbonyl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-7'-carboxylate | Generator |
|
---|
Chemical Formula | C17H16O7 |
---|
Average Mass | 332.3080 Da |
---|
Monoisotopic Mass | 332.08960 Da |
---|
IUPAC Name | (2S,7'R)-5-hydroxy-3'-(methoxycarbonyl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-7'-carboxylic acid |
---|
Traditional Name | (2S,7'R)-5-hydroxy-3'-(methoxycarbonyl)-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-7'-carboxylic acid |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC(=O)C1=CCC[C@@H](C(O)=O)[C@]2(C1)OC1=C(C=C(O)C=C1)C2=O |
---|
InChI Identifier | InChI=1S/C17H16O7/c1-23-16(22)9-3-2-4-12(15(20)21)17(8-9)14(19)11-7-10(18)5-6-13(11)24-17/h3,5-7,12,18H,2,4,8H2,1H3,(H,20,21)/t12-,17-/m0/s1 |
---|
InChI Key | ZALUTFUTOCLYRF-SJCJKPOMSA-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 | |
---|