| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2021-01-05 20:37:08 UTC |
|---|
| Updated at | 2021-07-15 17:07:01 UTC |
|---|
| NP-MRD ID | NP0010767 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | Radianspene L |
|---|
| Provided By | NPAtlas |
|---|
| Description | Radianspene L is found in Coprinellus radians and Coprinus. Based on a literature review very few articles have been published on Radianspene L. |
|---|
| Structure | [H]OC1=C(C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]2(C(C1=O)=C1N([H])C(=O)C3=C([H])C([H])([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])C2([H])[H])[C@]13[H])C([H])([H])[H] InChI=1S/C20H25NO3/c1-10(2)12-16(22)17(23)14-15-13-11(18(24)21-15)6-5-7-19(13,3)8-9-20(12,14)4/h6,10,13,22H,5,7-9H2,1-4H3,(H,21,24)/t13-,19-,20+/m0/s1 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C20H25NO3 |
|---|
| Average Mass | 327.4240 Da |
|---|
| Monoisotopic Mass | 327.18344 Da |
|---|
| IUPAC Name | (6R,9S,16S)-4-hydroxy-6,9-dimethyl-5-(propan-2-yl)-15-azatetracyclo[7.6.1.0^{2,6}.0^{13,16}]hexadeca-1,4,12-triene-3,14-dione |
|---|
| Traditional Name | (6R,9S,16S)-4-hydroxy-5-isopropyl-6,9-dimethyl-15-azatetracyclo[7.6.1.0^{2,6}.0^{13,16}]hexadeca-1,4,12-triene-3,14-dione |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | CC(C)C1=C(O)C(=O)C2=C3NC(=O)C4=CCC[C@@](C)(CC[C@]12C)[C@H]34 |
|---|
| InChI Identifier | InChI=1S/C20H25NO3/c1-10(2)12-16(22)17(23)14-15-13-11(18(24)21-15)6-5-7-19(13,3)8-9-20(12,14)4/h6,10,13,22H,5,7-9H2,1-4H3,(H,21,24)/t13-,19-,20+/m0/s1 |
|---|
| InChI Key | PMSDVJGYKIINKC-QTJFZDIUSA-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 | |
|---|